 Entering Gaussian System, Link 0=g16
 Input=16_3carene_STD_B3LYPDBJ-def2SVPDr.in
 Output=16_3carene_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/16_3carene_STD/Gau-3040.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/16_3carene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      3045.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=16_3carene_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "16_3carene_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.576059000000     -0.547983000000     -0.947443000000
  C                                                 0.890468000000      0.902427000000     -0.657284000000
  C                                                -0.802273000000     -1.098603000000     -0.653320000000
  C                                                -1.791447000000     -0.132514000000     -0.059048000000
  C                                                -3.143825000000     -0.710364000000      0.239514000000
  C                                                -1.497746000000      1.141771000000      0.186488000000
  C                                                -0.177796000000      1.802825000000     -0.074903000000
  C                                                 1.553152000000     -0.190698000000      0.146729000000
  H                                                 1.028285000000     -0.960644000000     -1.841695000000
  H                                                 1.539725000000      1.397239000000     -1.369979000000
  H                                                -3.606037000000     -1.117137000000     -0.665576000000
  H                                                -3.817128000000      0.036487000000      0.660286000000
  H                                                -3.065712000000     -1.539941000000      0.949730000000
  H                                                 0.180173000000      2.267717000000      0.852903000000
  H                                                -0.342920000000      2.638631000000     -0.763675000000
  C                                                 1.181093000000     -0.401023000000      1.596800000000
  C                                                 3.016369000000     -0.450660000000     -0.138002000000
  H                                                 0.128051000000     -0.210909000000      1.793600000000
  H                                                 1.766600000000      0.261136000000      2.240469000000
  H                                                 1.400175000000     -1.428043000000      1.901625000000
  H                                                 3.251657000000     -0.290389000000     -1.191686000000
  H                                                 3.287167000000     -1.480442000000      0.112381000000
  H                                                 3.654322000000      0.213667000000      0.452009000000
  H                                                -0.731082000000     -1.975159000000      0.004567000000
  H                                                -1.231206000000     -1.482577000000     -1.585866000000
  H                                                -2.266393000000      1.779290000000      0.613726000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12          12           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           0           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.576059   -0.547983   -0.947443
      2          6           0        0.890468    0.902427   -0.657284
      3          6           0       -0.802273   -1.098603   -0.653320
      4          6           0       -1.791447   -0.132514   -0.059048
      5          6           0       -3.143825   -0.710364    0.239514
      6          6           0       -1.497746    1.141771    0.186488
      7          6           0       -0.177796    1.802825   -0.074903
      8          6           0        1.553152   -0.190698    0.146729
      9          1           0        1.028285   -0.960644   -1.841695
     10          1           0        1.539725    1.397239   -1.369979
     11          1           0       -3.606037   -1.117137   -0.665576
     12          1           0       -3.817128    0.036487    0.660286
     13          1           0       -3.065712   -1.539941    0.949730
     14          1           0        0.180173    2.267717    0.852903
     15          1           0       -0.342920    2.638631   -0.763675
     16          6           0        1.181093   -0.401023    1.596800
     17          6           0        3.016369   -0.450660   -0.138002
     18          1           0        0.128051   -0.210909    1.793600
     19          1           0        1.766600    0.261136    2.240469
     20          1           0        1.400175   -1.428043    1.901625
     21          1           0        3.251657   -0.290389   -1.191686
     22          1           0        3.287167   -1.480442    0.112381
     23          1           0        3.654322    0.213667    0.452009
     24          1           0       -0.731082   -1.975159    0.004567
     25          1           0       -1.231206   -1.482577   -1.585866
     26          1           0       -2.266393    1.779290    0.613726
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.512195   0.000000
     3  C    1.513106   2.620975   0.000000
     4  C    2.562605   2.936266   1.504976   0.000000
     5  C    3.908039   4.436312   2.535892   1.500659   0.000000
     6  C    2.905466   2.544170   2.491633   1.330545   2.478466
     7  C    2.618381   1.513629   3.023710   2.519853   3.900296
     8  C    1.509826   1.510136   2.648093   3.351428   4.726548
     9  H    1.083736   2.211980   2.186827   3.437225   4.669108
    10  H    2.211578   1.083655   3.496825   3.892993   5.382202
    11  H    4.230049   4.929226   2.803852   2.151766   1.094665
    12  H    4.714498   4.964605   3.478986   2.156244   1.090033
    13  H    4.224422   4.919249   2.808506   2.149938   1.094855
    14  H    3.365433   2.156200   3.816545   3.237290   4.504906
    15  H    3.321566   2.132362   3.766975   3.205304   4.479646
    16  C    2.619320   2.619988   3.079513   3.413198   4.543438
    17  C    2.572893   2.572927   3.907353   4.818978   6.177213
    18  H    2.797793   2.797790   2.764222   2.668880   3.656475
    19  H    3.497834   3.094484   4.101465   4.254696   5.390724
    20  H    3.093681   3.498415   3.389255   3.963469   4.891381
    21  H    2.699043   2.698816   4.168620   5.171140   6.567108
    22  H    3.056602   3.466210   4.177992   5.257244   6.478182
    23  H    3.466162   3.056765   4.775463   5.480641   6.863949
    24  H    2.156797   3.368675   1.098287   2.126914   2.734271
    25  H    2.132430   3.324456   1.095930   2.113697   2.754349
    26  H    3.991614   3.514275   3.468619   2.081632   2.666139
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.499195   0.000000
     8  C    3.329419   2.649422   0.000000
     9  H    3.861931   3.494703   2.195935   0.000000
    10  H    3.422584   2.188972   2.195934   2.458394   0.000000
    11  H    3.205241   4.541796   5.304277   4.783794   5.770367
    12  H    2.612598   4.111592   5.399561   5.543664   5.888081
    13  H    3.198849   4.534756   4.878439   4.988833   5.934486
    14  H    2.127740   1.097766   2.903026   4.289810   2.747238
    15  H    2.115898   1.095557   3.525483   3.999639   2.335168
    16  C    3.397848   3.081901   1.511744   3.487087   3.487713
    17  C    4.797746   3.909586   1.513161   2.667420   2.667016
    18  H    2.656270   2.764050   2.177959   3.819410   3.819319
    19  H    3.956047   3.393881   2.152548   4.324571   3.791772
    20  H    4.235987   4.103068   2.152692   3.790674   4.324938
    21  H    5.148522   4.170120   2.164766   2.411459   2.410516
    22  H    5.456820   4.777121   2.161349   3.031691   3.678586
    23  H    5.241725   4.181888   2.161394   3.679151   3.031832
    24  H    3.214984   3.819110   2.902109   2.744685   4.291737
    25  H    3.177969   3.766503   3.524697   2.333059   4.002250
    26  H    1.086177   2.199318   4.322946   4.938748   4.309012
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.770118   0.000000
    13  H    1.754972   1.770178   0.000000
    14  H    5.300793   4.581911   5.004339   0.000000
    15  H    4.976279   4.568253   5.273501   1.739117   0.000000
    16  C    5.343012   5.103987   4.444231   2.945742   4.139318
    17  C    6.676735   6.897192   6.273867   4.051601   4.606518
    18  H    4.562040   4.112182   3.560697   2.651644   3.857635
    19  H    6.261786   5.807363   5.316119   2.910061   4.373493
    20  H    5.634655   5.559318   4.567578   4.030740   5.165273
    21  H    6.927357   7.314668   6.786471   4.489796   4.656537
    22  H    6.946472   7.285072   6.408102   4.924478   5.559835
    23  H    7.465444   7.476452   6.962882   4.055804   4.830764
    24  H    3.074193   3.741706   2.556021   4.421771   4.693391
    25  H    2.572995   3.746965   3.130168   4.690873   4.295277
    26  H    3.438103   2.333304   3.430613   2.506282   2.517032
                   16         17         18         19         20
    16  C    0.000000
    17  C    2.525914   0.000000
    18  H    1.088012   3.482951   0.000000
    19  H    1.093427   2.779514   1.762771   0.000000
    20  H    1.093474   2.779827   1.763912   1.761365   0.000000
    21  H    3.474929   1.091466   4.321477   3.780114   3.780319
    22  H    2.793599   1.093835   3.797134   3.142288   2.600938
    23  H    2.793788   1.093813   3.796672   2.600834   3.142893
    24  H    2.944405   4.048186   2.655433   4.029726   2.905240
    25  H    4.137428   4.604678   3.858174   5.164128   4.369180
    26  H    4.195874   5.783195   3.329618   4.606096   5.038789
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.765808   0.000000
    23  H    1.765770   1.766396   0.000000
    24  H    4.486834   4.050024   4.921680   0.000000
    25  H    4.655400   4.826981   5.558648   1.738459   0.000000
    26  H    6.163762   6.459042   6.126352   4.101724   4.068119
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.57D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.576059   -0.547983   -0.947443
      2          6           0        0.890468    0.902427   -0.657284
      3          6           0       -0.802273   -1.098603   -0.653320
      4          6           0       -1.791447   -0.132514   -0.059048
      5          6           0       -3.143825   -0.710364    0.239514
      6          6           0       -1.497746    1.141771    0.186488
      7          6           0       -0.177796    1.802825   -0.074903
      8          6           0        1.553152   -0.190698    0.146729
      9          1           0        1.028285   -0.960644   -1.841695
     10          1           0        1.539725    1.397239   -1.369979
     11          1           0       -3.606037   -1.117137   -0.665576
     12          1           0       -3.817128    0.036487    0.660286
     13          1           0       -3.065712   -1.539941    0.949730
     14          1           0        0.180173    2.267717    0.852903
     15          1           0       -0.342920    2.638631   -0.763675
     16          6           0        1.181093   -0.401023    1.596800
     17          6           0        3.016369   -0.450660   -0.138002
     18          1           0        0.128051   -0.210909    1.793600
     19          1           0        1.766600    0.261136    2.240469
     20          1           0        1.400175   -1.428043    1.901625
     21          1           0        3.251657   -0.290389   -1.191686
     22          1           0        3.287167   -1.480442    0.112381
     23          1           0        3.654322    0.213667    0.452009
     24          1           0       -0.731082   -1.975159    0.004567
     25          1           0       -1.231206   -1.482577   -1.585866
     26          1           0       -2.266393    1.779290    0.613726
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4724293           0.9589096           0.8790852
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     18     19     20
 Centers:      21     22     23     24     25     26
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     16     17
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   348 symmetry adapted cartesian basis functions of A   symmetry.
 There are   328 symmetry adapted basis functions of A   symmetry.
   328 basis functions,   480 primitive gaussians,   348 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       551.5317654388 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0458224712 Hartrees.
 Nuclear repulsion after empirical dispersion term =      551.4859429675 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:               9.5 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   328 RedAO= T EigKep=  1.39D-05  NBF=   328
 NBsUse=   328 1.00D-06 EigRej= -1.00D+00 NBFU=   328
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   348   348   348   348   348 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Fri Jul 16 13:10:06 2021, MaxMem=  5637144576 cpu:               6.9 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:07 2021, MaxMem=  5637144576 cpu:               2.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "16_3carene_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:08 2021, MaxMem=  5637144576 cpu:               4.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636896046 LenY=  5636774501
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.452635148118    
 DIIS: error= 2.46D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.452635148118     IErMin= 1 ErrMin= 2.46D-03
 ErrMax= 2.46D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.34D-03 BMatP= 6.34D-03
 IDIUse=3 WtCom= 9.75D-01 WtEn= 2.46D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.257 Goal=   None    Shift=    0.000
 GapD=    0.257 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.44D-02 MaxDP=6.55D-01              OVMax= 1.04D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.25D-02    CP:  1.35D+00
 E= -390.458081832466     Delta-E=       -0.005446684348 Rises=F Damp=F
 DIIS: error= 2.66D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.458081832466     IErMin= 2 ErrMin= 2.66D-04
 ErrMax= 2.66D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.06D-05 BMatP= 6.34D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.66D-03
 Coeff-Com: -0.463D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.462D-02 0.100D+01
 Gap=     0.248 Goal=   None    Shift=    0.000
 RMSDP=6.65D-04 MaxDP=3.08D-02 DE=-5.45D-03 OVMax= 2.71D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.97D-04    CP:  1.36D+00  1.04D+00
 E= -390.458071705068     Delta-E=        0.000010127398 Rises=F Damp=F
 DIIS: error= 3.29D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -390.458081832466     IErMin= 2 ErrMin= 2.66D-04
 ErrMax= 3.29D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.14D-05 BMatP= 5.06D-05
 IDIUse=3 WtCom= 3.55D-01 WtEn= 6.45D-01
 Coeff-Com: -0.106D-01 0.553D+00 0.457D+00
 Coeff-En:   0.000D+00 0.537D+00 0.463D+00
 Coeff:     -0.377D-02 0.543D+00 0.461D+00
 Gap=     0.247 Goal=   None    Shift=    0.000
 RMSDP=1.11D-04 MaxDP=3.97D-03 DE= 1.01D-05 OVMax= 1.53D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.56D-05    CP:  1.36D+00  1.04D+00  7.13D-01
 E= -390.458148882398     Delta-E=       -0.000077177330 Rises=F Damp=F
 DIIS: error= 3.67D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.458148882398     IErMin= 4 ErrMin= 3.67D-05
 ErrMax= 3.67D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-06 BMatP= 5.06D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.363D-02 0.106D+00 0.145D+00 0.752D+00
 Coeff:     -0.363D-02 0.106D+00 0.145D+00 0.752D+00
 Gap=     0.247 Goal=   None    Shift=    0.000
 RMSDP=3.42D-05 MaxDP=1.87D-03 DE=-7.72D-05 OVMax= 3.48D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.77D-05    CP:  1.36D+00  1.04D+00  7.49D-01  8.19D-01
 E= -390.458149715343     Delta-E=       -0.000000832944 Rises=F Damp=F
 DIIS: error= 1.64D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.458149715343     IErMin= 5 ErrMin= 1.64D-05
 ErrMax= 1.64D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.23D-07 BMatP= 1.15D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.107D-02 0.106D-01 0.372D-01 0.401D+00 0.552D+00
 Coeff:     -0.107D-02 0.106D-01 0.372D-01 0.401D+00 0.552D+00
 Gap=     0.247 Goal=   None    Shift=    0.000
 RMSDP=5.99D-06 MaxDP=2.37D-04 DE=-8.33D-07 OVMax= 2.26D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.66D-06    CP:  1.36D+00  1.04D+00  7.48D-01  8.56D-01  7.98D-01
 E= -390.458150013128     Delta-E=       -0.000000297786 Rises=F Damp=F
 DIIS: error= 6.64D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.458150013128     IErMin= 6 ErrMin= 6.64D-06
 ErrMax= 6.64D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-08 BMatP= 3.23D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.389D-03 0.374D-03 0.117D-01 0.172D+00 0.296D+00 0.521D+00
 Coeff:     -0.389D-03 0.374D-03 0.117D-01 0.172D+00 0.296D+00 0.521D+00
 Gap=     0.247 Goal=   None    Shift=    0.000
 RMSDP=1.71D-06 MaxDP=5.71D-05 DE=-2.98D-07 OVMax= 8.82D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.25D-06    CP:  1.36D+00  1.04D+00  7.48D-01  8.65D-01  7.69D-01
                    CP:  8.11D-01
 E= -390.458150030412     Delta-E=       -0.000000017284 Rises=F Damp=F
 DIIS: error= 2.01D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.458150030412     IErMin= 7 ErrMin= 2.01D-06
 ErrMax= 2.01D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.80D-09 BMatP= 1.97D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.967D-04-0.110D-02 0.194D-02 0.498D-01 0.108D+00 0.312D+00
 Coeff-Com:  0.529D+00
 Coeff:     -0.967D-04-0.110D-02 0.194D-02 0.498D-01 0.108D+00 0.312D+00
 Coeff:      0.529D+00
 Gap=     0.247 Goal=   None    Shift=    0.000
 RMSDP=4.49D-07 MaxDP=1.31D-05 DE=-1.73D-08 OVMax= 2.71D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.73D-07    CP:  1.36D+00  1.04D+00  7.48D-01  8.66D-01  7.69D-01
                    CP:  8.36D-01  8.27D-01
 E= -390.458150033258     Delta-E=       -0.000000002846 Rises=F Damp=F
 DIIS: error= 2.67D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.458150033258     IErMin= 8 ErrMin= 2.67D-07
 ErrMax= 2.67D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.23D-11 BMatP= 2.80D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.263D-06-0.441D-03-0.469D-03 0.258D-02 0.145D-01 0.692D-01
 Coeff-Com:  0.212D+00 0.703D+00
 Coeff:     -0.263D-06-0.441D-03-0.469D-03 0.258D-02 0.145D-01 0.692D-01
 Coeff:      0.212D+00 0.703D+00
 Gap=     0.247 Goal=   None    Shift=    0.000
 RMSDP=1.37D-07 MaxDP=5.24D-06 DE=-2.85D-09 OVMax= 3.50D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.40D-08    CP:  1.36D+00  1.04D+00  7.48D-01  8.65D-01  7.73D-01
                    CP:  8.36D-01  8.19D-01  8.10D-01
 E= -390.458150033317     Delta-E=       -0.000000000059 Rises=F Damp=F
 DIIS: error= 7.03D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.458150033317     IErMin= 9 ErrMin= 7.03D-08
 ErrMax= 7.03D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.76D-12 BMatP= 9.23D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.274D-05-0.166D-03-0.270D-03-0.323D-03 0.327D-02 0.208D-01
 Coeff-Com:  0.785D-01 0.319D+00 0.579D+00
 Coeff:      0.274D-05-0.166D-03-0.270D-03-0.323D-03 0.327D-02 0.208D-01
 Coeff:      0.785D-01 0.319D+00 0.579D+00
 Gap=     0.247 Goal=   None    Shift=    0.000
 RMSDP=3.61D-08 MaxDP=1.06D-06 DE=-5.93D-11 OVMax= 5.68D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.46D-08    CP:  1.36D+00  1.04D+00  7.48D-01  8.65D-01  7.73D-01
                    CP:  8.36D-01  8.21D-01  8.08D-01  7.30D-01
 E= -390.458150033333     Delta-E=       -0.000000000016 Rises=F Damp=F
 DIIS: error= 1.71D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -390.458150033333     IErMin=10 ErrMin= 1.71D-08
 ErrMax= 1.71D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.31D-13 BMatP= 4.76D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.111D-05-0.350D-04-0.756D-04-0.310D-03 0.319D-03 0.352D-02
 Coeff-Com:  0.174D-01 0.829D-01 0.236D+00 0.660D+00
 Coeff:      0.111D-05-0.350D-04-0.756D-04-0.310D-03 0.319D-03 0.352D-02
 Coeff:      0.174D-01 0.829D-01 0.236D+00 0.660D+00
 Gap=     0.247 Goal=   None    Shift=    0.000
 RMSDP=6.46D-09 MaxDP=2.65D-07 DE=-1.64D-11 OVMax= 1.25D-07

 SCF Done:  E(RB3LYP) =  -390.458150033     A.U. after   10 cycles
            NFock= 10  Conv=0.65D-08     -V/T= 2.0125
 KE= 3.856247220415D+02 PE=-2.003902826132D+03 EE= 6.763340110897D+02
 Leave Link  502 at Fri Jul 16 13:12:49 2021, MaxMem=  5637144576 cpu:            1282.1 elap:             160.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   328
 NBasis=   328 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    328 NOA=    38 NOB=    38 NVA=   290 NVB=   290

 **** Warning!!: The largest alpha MO coefficient is  0.57037794D+02

 Leave Link  801 at Fri Jul 16 13:12:49 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7861 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.84D-13 8.33D-09 XBig12= 1.00D+00 5.38D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.84D-13 8.33D-09 XBig12= 2.96D-01 1.04D-01.
     11 vectors produced by pass  2 Test12= 1.84D-13 8.33D-09 XBig12= 6.13D-02 4.46D-02.
     11 vectors produced by pass  3 Test12= 1.84D-13 8.33D-09 XBig12= 2.16D-03 9.60D-03.
     11 vectors produced by pass  4 Test12= 1.84D-13 8.33D-09 XBig12= 1.14D-04 1.84D-03.
     11 vectors produced by pass  5 Test12= 1.84D-13 8.33D-09 XBig12= 4.81D-06 3.75D-04.
     11 vectors produced by pass  6 Test12= 1.84D-13 8.33D-09 XBig12= 1.26D-07 6.76D-05.
     11 vectors produced by pass  7 Test12= 1.84D-13 8.33D-09 XBig12= 1.43D-09 5.94D-06.
     11 vectors produced by pass  8 Test12= 1.84D-13 8.33D-09 XBig12= 2.74D-11 8.35D-07.
      8 vectors produced by pass  9 Test12= 1.84D-13 8.33D-09 XBig12= 2.75D-13 9.53D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   107 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.131577D+03
      2  0.446147D+01  0.120411D+03
      3  0.494558D+00  0.247262D+01  0.100763D+03
 Isotropic polarizability for W=    0.085645      117.58 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.205307D+02 -0.515668D+02  0.810558D+01
      2   0.118783D+01  0.502785D+02 -0.128338D+02
      3   0.193429D+02  0.128832D+01  0.472827D+01
      4  -0.454515D+02 -0.490185D+02 -0.222484D+02
      5   0.225118D+02 -0.200594D+02  0.342094D+02
      6  -0.104948D+02  0.519826D+01 -0.206692D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.119735D+01  0.877766D-01  0.344388D+01
      2   0.934923D+01 -0.824622D+01  0.105720D+02
      3   0.191480D+02  0.294078D+02  0.660937D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.218906D+01  0.180321D+02  0.219576D+02
      2  -0.144062D+02 -0.117537D+02  0.148666D+02
      3   0.611535D+01  0.502063D+02  0.956460D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.271162D+00 -0.190602D+01 -0.213885D+01
      2  -0.190602D+01  0.964940D+00 -0.186084D+01
      3  -0.213885D+01 -0.186084D+01 -0.113329D+01
 OR G Eigenvalues:    -4.2356     1.4060     2.3900  Iso=     0.1465
 Eigenvectors:
   (1)   0.582221   0.454581   0.674073
   (2)  -0.649607  -0.238464   0.721904
   (3)  -0.488906   0.858191  -0.156461
 w=    0.085645 a.u., Optical Rotation Beta=      0.1465 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 5320.0 A) =       51.00 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   53956 ScalPx= 2.25D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   53956 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.33D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.06D-14 2.78D-09 XBig12= 1.00D+00 3.44D-01.
     30 vectors produced by pass  1 Test12= 3.06D-14 2.78D-09 XBig12= 1.09D-01 4.61D-02.
     30 vectors produced by pass  2 Test12= 3.06D-14 2.78D-09 XBig12= 1.92D-03 7.62D-03.
     30 vectors produced by pass  3 Test12= 3.06D-14 2.78D-09 XBig12= 3.52D-05 8.26D-04.
     30 vectors produced by pass  4 Test12= 3.06D-14 2.78D-09 XBig12= 2.21D-07 4.39D-05.
     30 vectors produced by pass  5 Test12= 3.06D-14 2.78D-09 XBig12= 8.67D-10 2.60D-06.
     30 vectors produced by pass  6 Test12= 3.06D-14 2.78D-09 XBig12= 1.76D-12 1.41D-07.
      6 vectors produced by pass  7 Test12= 3.06D-14 2.78D-09 XBig12= 3.03D-15 6.57D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   216 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   53956 ScalPx= 1.05D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   53956 ScalPx= 1.05D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   53956 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.18D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131577D+03  0.446147D+01  0.494558D+00
      2   0.446147D+01  0.120411D+03  0.247262D+01
      3   0.494558D+00  0.247262D+01  0.100763D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.119735D+01  0.877766D-01  0.344388D+01
      2   0.934923D+01 -0.824622D+01  0.105720D+02
      3   0.191480D+02  0.294078D+02  0.660937D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.205307D+02 -0.515668D+02  0.810558D+01
      2   0.118783D+01  0.502785D+02 -0.128338D+02
      3   0.193429D+02  0.128832D+01  0.472827D+01
      4  -0.454515D+02 -0.490185D+02 -0.222484D+02
      5   0.225118D+02 -0.200594D+02  0.342094D+02
      6  -0.104948D+02  0.519826D+01 -0.206692D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.303253D+01 -0.691500D+00 -0.193986D+01  0.182517D+00 -0.210096D+01
      2  -0.691500D+00 -0.467905D+00 -0.138533D+01 -0.210096D+01 -0.460560D+01
      3  -0.193986D+01 -0.138533D+01 -0.437095D+01 -0.425793D-01 -0.133583D+00
                 6             7             8             9            10 
      1  -0.425793D-01 -0.385949D+01 -0.253950D+01 -0.429873D+01 -0.239278D+01
      2  -0.133583D+00 -0.253950D+01  0.195844D+01  0.100252D+01  0.133056D+01
      3   0.160940D+01 -0.429873D+01  0.100252D+01  0.257154D+00 -0.354324D-01
                11            12            13            14            15 
      1   0.133056D+01 -0.354324D-01  0.513735D+00 -0.203984D+01  0.127214D+01
      2  -0.132627D+01  0.316726D+01 -0.203984D+01  0.562539D+01  0.578844D+00
      3   0.316726D+01 -0.278390D+01  0.127214D+01  0.578844D+00  0.431865D+00
                16            17            18            19            20 
      1  -0.372706D+00  0.486533D+01 -0.233193D+01  0.812110D-01 -0.935536D+00
      2   0.486533D+01  0.665133D+00  0.117019D+01 -0.935536D+00 -0.101928D+01
      3  -0.233193D+01  0.117019D+01  0.924491D-01  0.560691D+00  0.131316D+01
                21            22            23            24            25 
      1   0.560691D+00 -0.111249D+01  0.306516D+00  0.104536D+01  0.974544D+00
      2   0.131316D+01  0.306516D+00  0.998416D+01 -0.202359D+00  0.976447D+00
      3   0.170478D+01  0.104536D+01 -0.202359D+00  0.254640D+01  0.307474D+01
                26            27            28            29            30 
      1   0.976447D+00  0.307474D+01 -0.549729D+01 -0.306965D+01 -0.359232D+00
      2  -0.858965D+00  0.502075D+01 -0.306965D+01 -0.336094D+01 -0.871320D+00
      3   0.502075D+01  0.376849D+01 -0.359232D+00 -0.871320D+00 -0.109420D+01
                31            32            33            34            35 
      1  -0.425457D+01 -0.631779D+01 -0.189705D+01 -0.960141D+00 -0.163392D+01
      2  -0.631779D+01 -0.178329D+02 -0.836591D+00 -0.163392D+01 -0.158637D+01
      3  -0.189705D+01 -0.836591D+00 -0.332400D+01 -0.259110D+01 -0.316465D+01
                36            37            38            39            40 
      1  -0.259110D+01  0.366996D+01  0.923041D+00  0.887329D+00  0.346552D-01
      2  -0.316465D+01  0.923041D+00  0.428996D+01  0.267131D+01  0.640409D+01
      3  -0.164931D+01  0.887329D+00  0.267131D+01  0.202890D+01  0.217383D+01
                41            42            43            44            45 
      1   0.640409D+01  0.217383D+01  0.133961D+01  0.249287D+01  0.431001D+01
      2   0.532162D+01 -0.305015D+01  0.249287D+01 -0.330271D+01  0.435491D+01
      3  -0.305015D+01  0.253968D+01  0.431001D+01  0.435491D+01  0.131707D+01
                46            47            48            49            50 
      1   0.570257D+01  0.213789D+01 -0.496621D+00  0.398666D+01  0.733570D+01
      2   0.213789D+01  0.700897D+01  0.269566D+01  0.733570D+01  0.147887D+02
      3  -0.496621D+00  0.269566D+01  0.160794D+01  0.238840D+01 -0.650356D+00
                51            52            53            54            55 
      1   0.238840D+01  0.161305D+00  0.330034D+01  0.190857D+01 -0.162040D+01
      2  -0.650356D+00  0.330034D+01 -0.128685D+01  0.353290D+01 -0.173834D+01
      3   0.251954D+01  0.190857D+01  0.353290D+01  0.192184D+01 -0.603957D+00
                56            57            58            59            60 
      1  -0.173834D+01 -0.603957D+00 -0.190925D+01 -0.383396D+01 -0.159111D+01
      2  -0.370354D+01 -0.238117D+01 -0.383396D+01 -0.934433D+01  0.125437D+01
      3  -0.238117D+01 -0.821243D+00 -0.159111D+01  0.125437D+01 -0.292664D+01
                61            62            63            64            65 
      1  -0.649040D+00 -0.220292D+01 -0.126914D+01  0.336495D+01  0.128762D-01
      2  -0.220292D+01  0.140212D+01 -0.595310D+01  0.128762D-01  0.128934D+01
      3  -0.126914D+01 -0.595310D+01 -0.175905D+01  0.393226D+01 -0.684765D+00
                66            67            68            69            70 
      1   0.393226D+01  0.751126D-01  0.529383D+01 -0.696285D-01  0.685208D+01
      2  -0.684765D+00  0.529383D+01 -0.413616D+01  0.266152D+01 -0.810206D+00
      3   0.425480D+01 -0.696285D-01  0.266152D+01  0.222275D+00  0.490366D+01
                71            72            73            74            75 
      1  -0.810206D+00  0.490366D+01  0.183729D+01 -0.132866D+01 -0.148034D+01
      2   0.195128D+01  0.666471D-01 -0.132866D+01  0.871039D+00  0.934688D+00
      3   0.666471D-01 -0.156541D+00 -0.148034D+01  0.934688D+00  0.258039D+01
                76            77            78            79            80 
      1  -0.128665D+01  0.530875D+00  0.544052D+00 -0.189260D+01  0.985818D+00
      2   0.530875D+00 -0.167163D+01 -0.207637D+01  0.985818D+00 -0.220324D+01
      3   0.544052D+00 -0.207637D+01 -0.275450D+01  0.209968D+01 -0.285683D+01
                81            82            83            84            85 
      1   0.209968D+01  0.364814D+01  0.179501D+01 -0.183873D+01  0.162834D+01
      2  -0.285683D+01  0.179501D+01  0.187974D+01 -0.179441D+01  0.130998D+01
      3  -0.633131D+01 -0.183873D+01 -0.179441D+01  0.243376D+01 -0.133345D+01
                86            87            88            89            90 
      1   0.130998D+01 -0.133345D+01 -0.245605D+01 -0.178858D+01  0.220845D+01
      2   0.330736D+01 -0.205562D+01 -0.178858D+01 -0.219724D+01  0.213839D+01
      3  -0.205562D+01  0.175781D+01  0.220845D+01  0.213839D+01 -0.337107D+01
                91            92            93            94            95 
      1  -0.464420D+01 -0.196525D+01 -0.221907D+01 -0.267595D+01 -0.301975D+01
      2  -0.196525D+01 -0.147614D+01 -0.120013D+01 -0.301975D+01 -0.311707D+01
      3  -0.221907D+01 -0.120013D+01 -0.181949D+01 -0.118210D+01 -0.112392D+01
                96            97            98            99           100 
      1  -0.118210D+01 -0.534222D+01 -0.286274D+01 -0.340908D+01 -0.587106D+01
      2  -0.112392D+01 -0.286274D+01 -0.225108D+01 -0.275428D+01  0.191727D+01
      3  -0.168297D+01 -0.340908D+01 -0.275428D+01 -0.440735D+01  0.154432D+01
               101           102           103           104           105 
      1   0.191727D+01  0.154432D+01  0.485193D+01 -0.204355D+01 -0.145015D+01
      2  -0.129106D+01 -0.686518D+00 -0.204355D+01  0.191604D+01  0.967113D+00
      3  -0.686518D+00 -0.130792D+01 -0.145015D+01  0.967113D+00  0.102119D+01
               106           107           108           109           110 
      1   0.243468D+01 -0.861974D+00 -0.198035D+01 -0.474527D+00 -0.825236D+00
      2  -0.861974D+00  0.921993D+00  0.403965D+00 -0.825236D+00  0.294351D-01
      3  -0.198035D+01  0.403965D+00  0.136530D+01  0.448892D+00 -0.281731D+00
               111           112           113           114           115 
      1   0.448892D+00 -0.316055D+01 -0.322845D+01  0.888489D+00  0.187587D+01
      2  -0.281731D+00 -0.322845D+01 -0.697232D+01  0.320072D+01  0.116106D+01
      3  -0.228596D+00  0.888489D+00  0.320072D+01 -0.250058D+01 -0.188200D+01
               116           117           118           119           120 
      1   0.116106D+01 -0.188200D+01  0.183279D+01  0.142542D+01  0.129566D+01
      2   0.380449D+01 -0.335091D+01  0.142542D+01  0.194796D+01  0.131340D+01
      3  -0.335091D+01  0.295048D+01  0.129566D+01  0.131340D+01  0.114192D+01
               121           122           123           124           125 
      1   0.145040D+01  0.186612D+01  0.702063D+00  0.268913D+01  0.157266D+01
      2   0.186612D+01  0.609234D+01  0.225201D+01  0.157266D+01  0.482435D+01
      3   0.702063D+00  0.225201D+01  0.197494D+01  0.138532D+01  0.434994D+01
               126           127           128           129           130 
      1   0.138532D+01 -0.318540D+00  0.119682D+01 -0.670988D+00  0.190554D+01
      2   0.434994D+01  0.119682D+01 -0.962826D+00  0.674151D+00  0.783584D+00
      3   0.438918D+01 -0.670988D+00  0.674151D+00 -0.126733D+00  0.137003D+00
               131           132           133           134           135 
      1   0.783584D+00  0.137003D+00 -0.149144D+01  0.240633D+00  0.297011D+00
      2   0.106213D+02 -0.346998D+01  0.240633D+00 -0.530839D+01  0.389662D+01
      3  -0.346998D+01  0.212948D+01  0.297011D+00  0.389662D+01 -0.238677D+01
               136           137           138           139           140 
      1   0.555818D+01 -0.196998D+01 -0.240918D+01 -0.235089D+01 -0.302270D+01
      2  -0.196998D+01 -0.179165D+01 -0.742009D+00 -0.302270D+01  0.473297D+01
      3  -0.240918D+01 -0.742009D+00 -0.291922D+01 -0.826087D+00 -0.478210D+01
               141           142           143           144           145 
      1  -0.826087D+00 -0.311907D+01 -0.405202D+00 -0.339676D+01 -0.837119D+00
      2  -0.478210D+01 -0.405202D+00 -0.331686D+01 -0.121149D+01 -0.155236D+01
      3  -0.167349D+01 -0.339676D+01 -0.121149D+01 -0.156715D+00 -0.286225D+01
               146           147           148           149           150 
      1  -0.155236D+01 -0.286225D+01 -0.193913D+01 -0.565412D+01 -0.649938D+00
      2  -0.319957D+01 -0.429222D+00 -0.565412D+01  0.524180D+01 -0.242451D+01
      3  -0.429222D+00 -0.249976D+01 -0.649938D+00 -0.242451D+01 -0.176401D+01
               151           152           153           154           155 
      1  -0.331254D+01 -0.638063D+00 -0.380749D+01 -0.747009D+01  0.109207D+01
      2  -0.638063D+00 -0.267436D+01 -0.161002D+01  0.109207D+01 -0.694527D+00
      3  -0.380749D+01 -0.161002D+01  0.511520D+01  0.791011D+00  0.383840D+00
               156           157           158           159           160 
      1   0.791011D+00  0.146521D+01 -0.337424D+00  0.242167D+00  0.902264D+00
      2   0.383840D+00 -0.337424D+00 -0.231759D+00  0.653464D+00  0.132729D+00
      3  -0.237661D+01  0.242167D+00  0.653464D+00  0.714479D+00 -0.114316D+01
               161           162           163           164           165 
      1   0.132729D+00 -0.114316D+01  0.251375D+01  0.126254D+01  0.260118D+01
      2   0.541568D+00  0.333627D+00  0.126254D+01  0.122548D+01  0.963734D+00
      3   0.333627D+00  0.993539D+00  0.260118D+01  0.963734D+00  0.349284D+01
               166           167           168           169           170 
      1   0.199672D+01  0.151666D+01  0.163281D+01  0.184794D+01  0.810141D+00
      2   0.151666D+01  0.148581D+01  0.235399D+01  0.810141D+00  0.145476D+01
      3   0.163281D+01  0.235399D+01  0.362141D+01  0.256044D+01  0.177159D+01
               171           172           173           174           175 
      1   0.256044D+01  0.649890D+00 -0.111084D+01  0.111743D+01 -0.141402D+01
      2   0.177159D+01 -0.111084D+01  0.128268D+01 -0.513283D+00  0.191216D+01
      3   0.518386D+01  0.111743D+01 -0.513283D+00  0.119828D+01 -0.866500D+00
               176           177           178           179           180 
      1   0.191216D+01 -0.866500D+00  0.535914D+00 -0.329035D+00  0.906383D+00
      2  -0.677387D+01  0.383543D+01 -0.329035D+00  0.186809D+01 -0.170480D+01
      3   0.383543D+01 -0.332127D+01  0.906383D+00 -0.170480D+01  0.214279D+01
               181           182           183           184           185 
      1   0.137142D+01  0.356148D+00 -0.140519D+01  0.824836D+00  0.961554D+00
      2   0.356148D+00  0.474981D+00  0.711585D-02  0.961554D+00 -0.200570D+00
      3  -0.140519D+01  0.711585D-02  0.152974D+01 -0.206502D+00 -0.577183D+00
               186           187           188           189           190 
      1  -0.206502D+00 -0.323931D+01  0.111362D+00  0.314794D+01  0.241914D+01
      2  -0.577183D+00  0.111362D+00 -0.809836D+00  0.509059D+00 -0.174942D+01
      3   0.866119D+00  0.314794D+01  0.509059D+00 -0.686254D+01  0.633639D+00
               191           192           193           194           195 
      1  -0.174942D+01  0.633639D+00 -0.439484D+01  0.453230D+01 -0.416555D+00
      2   0.176821D+01 -0.238277D+00  0.453230D+01 -0.754316D+01  0.127328D+01
      3  -0.238277D+00  0.407761D+00 -0.416555D+00  0.127328D+01 -0.114793D+01
               196           197           198           199           200 
      1   0.161025D+01 -0.692838D+00  0.123379D+01  0.630473D+01  0.195578D+01
      2  -0.692838D+00  0.142392D+01 -0.990792D+00  0.195578D+01  0.153446D+01
      3   0.123379D+01 -0.990792D+00  0.376609D+00  0.213891D+01  0.775793D+00
               201           202           203           204           205 
      1   0.213891D+01  0.473031D+01  0.277323D+01  0.134134D+01  0.441094D+01
      2   0.775793D+00  0.277323D+01  0.176631D+01  0.137087D+01  0.103204D+01
      3   0.150216D+01  0.134134D+01  0.137087D+01  0.159579D+01  0.253263D+01
               206           207           208           209           210 
      1   0.103204D+01  0.253263D+01  0.117683D+00 -0.986298D+00  0.414480D+00
      2   0.146089D+01  0.112450D+01 -0.986298D+00 -0.226429D-02 -0.368879D+00
      3   0.112450D+01  0.184216D+01  0.414480D+00 -0.368879D+00 -0.187893D+00
               211           212           213           214           215 
      1  -0.168973D+01 -0.518779D+00  0.100929D+00  0.158040D+01  0.179475D+00
      2  -0.518779D+00 -0.943408D+01  0.155565D+01  0.179475D+00  0.423405D+01
      3   0.100929D+00  0.155565D+01 -0.133242D+01 -0.582498D+00 -0.252780D+01
               216           217           218           219           220 
      1  -0.582498D+00 -0.187999D+01 -0.982759D+00 -0.182987D+01 -0.629568D+00
      2  -0.252780D+01 -0.982759D+00 -0.171573D+01 -0.176266D+01 -0.985745D+00
      3   0.888695D+00 -0.182987D+01 -0.176266D+01 -0.206633D+01 -0.832161D+00
               221           222           223           224           225 
      1  -0.985745D+00 -0.832161D+00 -0.269585D+01 -0.134357D+01 -0.221848D+01
      2  -0.392304D+01 -0.233407D+01 -0.134357D+01 -0.306072D+01 -0.432544D+01
      3  -0.233407D+01 -0.229685D+01 -0.221848D+01 -0.432544D+01 -0.662889D+01
               226           227           228           229           230 
      1  -0.503318D+01  0.350039D+01  0.178490D+01  0.317168D+01 -0.242353D+01
      2   0.350039D+01 -0.259056D+01 -0.156039D+01 -0.242353D+01  0.490256D+01
      3   0.178490D+01 -0.156039D+01 -0.128041D+01 -0.110477D+01  0.175952D+01
               231           232           233           234 
      1  -0.110477D+01  0.217552D+01 -0.175235D+01 -0.165791D+01
      2   0.175952D+01 -0.175235D+01  0.234554D+01  0.774521D+00
      3   0.117428D+01 -0.165791D+01  0.774521D+00  0.110472D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.878609D+00  0.721411D+00 -0.120772D+01  0.118950D+01  0.105113D+02
      2  -0.377363D+01 -0.381658D+00 -0.358581D+01 -0.588499D+00 -0.436492D+01
      3   0.124587D+01 -0.322515D+01  0.220063D+01  0.769654D+01  0.898844D+01
                 6             7             8             9            10 
      1  -0.125554D+01  0.142895D+01  0.182531D+01  0.572910D+00 -0.134312D+01
      2   0.235602D+00 -0.139277D+02 -0.354846D+01 -0.602623D+01 -0.197027D+01
      3   0.336599D+01  0.718395D+01 -0.337799D+00  0.425181D+01 -0.227840D+01
                11            12            13            14            15 
      1  -0.377896D+01 -0.453340D+00 -0.198165D+01 -0.988225D+01 -0.451657D+01
      2   0.452533D+01 -0.128999D+01  0.267550D+01  0.480559D+00  0.164565D+01
      3  -0.476329D+01 -0.382200D+01  0.892262D+01 -0.130093D+02  0.231583D+01
                16            17            18            19            20 
      1  -0.445971D+01  0.161871D+01 -0.252420D+01  0.138209D+01  0.394453D+01
      2  -0.661914D+01  0.694176D+01 -0.636885D+00 -0.229139D+01 -0.769257D+00
      3  -0.784259D+01  0.369497D+01 -0.542491D+01 -0.138074D+01 -0.463879D+01
                21            22            23            24            25 
      1   0.224070D+01  0.219414D+01 -0.105713D+02  0.479101D+01  0.449774D+01
      2   0.425936D+00 -0.153940D+01 -0.731804D+00 -0.375518D+01 -0.587257D+01
      3   0.341913D+00  0.411500D+01  0.146888D+02 -0.919333D+00  0.183619D+01
                26            27            28            29            30 
      1   0.182955D+02  0.416366D+01 -0.176621D+00 -0.623442D+00 -0.234504D-02
      2  -0.514590D+01 -0.200919D+01 -0.124354D+01  0.593640D+01  0.322967D+01
      3  -0.329116D+01  0.326439D+01 -0.125685D+02 -0.200720D+02 -0.481956D+01
                31            32            33            34            35 
      1  -0.337405D+00 -0.344239D+01 -0.796576D+00  0.129272D+01  0.111401D+02
      2   0.716250D+01  0.366667D+01  0.919208D+01 -0.337109D+01  0.746476D+01
      3  -0.154224D+02 -0.439952D+02 -0.262680D+01 -0.733963D+01 -0.418704D+01
                36            37            38            39            40 
      1   0.220283D+01  0.191390D+01  0.486110D+01  0.412696D+01  0.367370D+01
      2   0.554918D+01 -0.492384D+01 -0.116146D+02 -0.537111D+01 -0.805468D+01
      3  -0.815024D+01 -0.224854D+01  0.126403D+02  0.919245D+01  0.273592D+02
                41            42            43            44            45 
      1  -0.309439D+01  0.171413D+01  0.936647D+01  0.965548D+01  0.258507D+01
      2   0.103806D+02 -0.992572D+01 -0.213291D+02 -0.202633D+02 -0.601616D+01
      3   0.156486D+02 -0.138108D+02  0.648652D+01 -0.164355D+02  0.124353D+02
                46            47            48            49            50 
      1  -0.364251D+00 -0.222589D+01 -0.167693D+01 -0.872912D+00  0.507337D+01
      2  -0.228085D+01 -0.437708D+01 -0.320438D+01 -0.274262D+01 -0.128886D+01
      3   0.573123D+01  0.866307D+01  0.440699D+01  0.207814D+02  0.475194D+02
                51            52            53            54            55 
      1  -0.310455D+01  0.951696D-01  0.136835D+01 -0.856055D+00  0.184820D+01
      2  -0.706398D+01 -0.136523D+02 -0.110915D+02 -0.448695D+01 -0.228007D+01
      3   0.281599D+01  0.650053D+01  0.275491D+01  0.100298D+02 -0.479370D+01
                56            57            58            59            60 
      1   0.635468D+01  0.239527D+01  0.337070D+01 -0.531873D+01  0.680975D+01
      2   0.627593D+00  0.141579D+01  0.573887D+00  0.822358D+00  0.332874D+00
      3  -0.106588D+02 -0.328113D+01 -0.372265D+01 -0.141073D+02 -0.266489D+01
                61            62            63            64            65 
      1   0.638886D+01  0.232535D+02  0.643724D+01  0.229774D+01  0.306391D+01
      2  -0.326881D+01 -0.228192D+01  0.830970D+00  0.145113D+02 -0.322760D+01
      3  -0.583094D+01 -0.549386D+01 -0.556483D+01 -0.262218D+00 -0.905830D+01
                66            67            68            69            70 
      1   0.193910D+01 -0.426946D+01  0.999438D+00 -0.538544D+01  0.514842D+00
      2   0.148534D+02 -0.113240D+00  0.704577D+01  0.126880D+01  0.404876D+01
      3   0.652587D+00 -0.781357D+01  0.825465D+01 -0.566291D+01 -0.674426D+00
                71            72            73            74            75 
      1   0.636061D+01 -0.351276D+00  0.540235D+00 -0.714191D+00  0.123272D+01
      2   0.992746D+00 -0.198326D+01  0.270890D+01 -0.108647D+01  0.123952D+01
      3  -0.561271D+01 -0.205742D+01 -0.433379D+00 -0.117975D+01  0.356846D+00
                76            77            78            79            80 
      1  -0.944654D-01  0.121839D+01 -0.600645D+00  0.705058D+00  0.339003D+01
      2  -0.194647D+01 -0.116631D+01 -0.191429D+01 -0.397684D+01 -0.589395D+00
      3   0.304897D+01  0.604219D+00  0.139496D+01  0.205539D+01  0.219506D+01
                81            82            83            84            85 
      1  -0.157522D+01  0.107962D+01 -0.256819D+00 -0.191565D+01  0.394269D+00
      2  -0.167824D+01  0.229158D+01 -0.643280D+00  0.271650D+01 -0.186602D-01
      3   0.590776D+00  0.354418D+01 -0.192188D+01 -0.169362D+00  0.322469D+01
                86            87            88            89            90 
      1  -0.153661D+01 -0.163032D+01 -0.151340D+01  0.148909D+01  0.290479D+01
      2  -0.106327D+01  0.112536D+01 -0.220784D+01  0.590703D-01 -0.214720D+01
      3  -0.266856D+01  0.874808D+00 -0.180498D+01  0.165385D+01  0.963188D+00
                91            92            93            94            95 
      1  -0.356074D+01 -0.156983D+01 -0.270734D+01 -0.227805D+01 -0.120976D+01
      2   0.796383D+01  0.469984D+01  0.830202D+01  0.452718D+01  0.437274D+01
      3  -0.279934D+01 -0.569268D+01 -0.267175D+01 -0.679507D+01 -0.906641D+01
                96            97            98            99           100 
      1  -0.314983D+01 -0.525519D+01 -0.275260D+01 -0.569618D+01  0.224010D+01
      2   0.691978D+01  0.108836D+02  0.104629D+02  0.171351D+02 -0.409271D+01
      3  -0.276342D+01 -0.395196D+01 -0.612706D+01 -0.690282D+01  0.114912D+02
               101           102           103           104           105 
      1  -0.174431D+01 -0.992604D+00 -0.167597D+01  0.235298D+01 -0.271435D+00
      2   0.217157D+01  0.620064D+01  0.362024D+01 -0.321336D+01 -0.443934D+01
      3  -0.833235D+01 -0.415843D+01 -0.839902D+01  0.102226D+02  0.465141D+01
               106           107           108           109           110 
      1  -0.198450D+01  0.158194D+01  0.725898D+00 -0.286067D+00 -0.937467D+00
      2   0.471335D+01 -0.132580D+01 -0.472148D+01 -0.155418D+01  0.183660D+01
      3  -0.487300D+01  0.526192D+01  0.272070D+01 -0.303894D+01 -0.673725D+00
               111           112           113           114           115 
      1  -0.279296D+00  0.115863D+01  0.115730D+01 -0.397272D+01 -0.274343D+01
      2   0.116790D+01 -0.166147D+01 -0.108784D+02  0.932458D+01  0.414833D+01
      3  -0.125670D+01 -0.672468D+01 -0.229697D+02  0.108999D+02  0.198405D+01
               116           117           118           119           120 
      1  -0.181699D+01  0.313013D+01 -0.447652D+01 -0.343550D+01 -0.386654D+01
      2   0.114470D+02 -0.101467D+02 -0.125375D+01 -0.103984D+01  0.762297D+00
      3   0.141591D+02 -0.104925D+02  0.616764D+01  0.228177D+01  0.377364D+01
               121           122           123           124           125 
      1  -0.122140D+01 -0.526174D+01 -0.642764D+01 -0.394073D+01 -0.977101D+01
      2  -0.448587D+00 -0.964522D+00  0.104811D+00 -0.185252D+01 -0.447831D+00
      3   0.638058D+01  0.690153D+01  0.227358D+01  0.100656D+02  0.515132D+01
               126           127           128           129           130 
      1  -0.130108D+02  0.154429D+01 -0.204917D+01  0.156211D+00  0.510022D+00
      2  -0.931724D+00  0.812773D+00  0.880749D+00  0.100118D+01  0.509790D-01
      3   0.449885D+01 -0.842914D+00  0.110282D+01 -0.127378D+01  0.815253D+01
               131           132           133           134           135 
      1   0.724119D+01 -0.708195D+01 -0.255182D+01 -0.769356D+01  0.619331D+01
      2  -0.957178D+00 -0.749063D-01 -0.173580D+01  0.202225D+00  0.144823D-01
      3   0.563406D+01 -0.421618D+00 -0.445442D+01 -0.435684D+00  0.241552D+01
               136           137           138           139           140 
      1  -0.732197D+01 -0.439862D+01 -0.320418D+01 -0.733848D+01  0.812044D+01
      2  -0.188902D+02  0.317737D+01  0.484007D+01  0.405852D+01 -0.266665D+01
      3   0.720640D-01  0.164694D+01  0.279384D+01  0.894739D+01 -0.644586D+01
               141           142           143           144           145 
      1  -0.148480D+02 -0.275053D+01 -0.728292D+01 -0.367530D+01 -0.158952D+01
      2  -0.558542D+00  0.765852D+00 -0.873927D+00  0.529832D+01 -0.104250D+02
      3   0.826380D+01  0.249529D+01  0.563378D+01  0.364294D+01  0.730523D+01
               146           147           148           149           150 
      1  -0.289167D+00 -0.191021D+01  0.175551D+00 -0.216493D+01 -0.219024D+01
      2  -0.184835D+01 -0.986714D+01 -0.253189D+01 -0.102413D+02 -0.636243D+01
      3   0.128404D+02  0.315110D+01  0.264640D+02 -0.168966D+02  0.948479D+01
               151           152           153           154           155 
      1  -0.289956D+01  0.145273D+01  0.331105D+01  0.454941D+01 -0.275990D+01
      2  -0.194089D+02 -0.519893D+01  0.179668D+02  0.235201D+02 -0.324735D+01
      3   0.379082D+01  0.938140D+01  0.779168D+01  0.310678D+01 -0.122737D+01
               156           157           158           159           160 
      1   0.769361D-01 -0.212464D+01  0.453236D+00  0.213482D+00 -0.626598D+00
      2  -0.104404D+01 -0.435584D+01  0.145316D+01 -0.218059D+00 -0.460070D+01
      3  -0.407598D+00  0.185564D+01  0.842532D-01 -0.540901D+00 -0.280840D+00
               161           162           163           164           165 
      1   0.141403D+01  0.669327D+00  0.391254D+01  0.471409D+01  0.299930D+01
      2   0.293434D+00  0.230827D+01 -0.117187D+01 -0.101507D+01  0.263975D+01
      3   0.326186D+00  0.145688D+00 -0.213213D+01 -0.380826D+01 -0.237540D+01
               166           167           168           169           170 
      1   0.389600D+01  0.552781D+01  0.508118D+01  0.316762D+01  0.608662D+01
      2  -0.290770D+01  0.947710D+00  0.305794D+01 -0.275892D+01  0.693830D+00
      3  -0.136162D+01 -0.348377D+01 -0.405606D+01 -0.142654D+01 -0.334917D+01
               171           172           173           174           175 
      1   0.594197D+01 -0.957447D+00  0.268297D+01  0.588596D+00  0.339566D+01
      2   0.330917D+01  0.784570D+00  0.555720D+00  0.103241D+01  0.289501D+01
      3  -0.364053D+01  0.939655D+00 -0.235815D+01  0.454761D+00  0.112689D+01
               176           177           178           179           180 
      1  -0.132560D+02  0.285942D+01 -0.451525D+00  0.463510D+01 -0.193999D+01
      2   0.301758D+01 -0.431327D+01 -0.141944D+01 -0.146064D+01  0.182368D+01
      3   0.987498D+01 -0.542985D+01 -0.562175D+00 -0.276275D+01  0.213712D+01
               181           182           183           184           185 
      1  -0.894158D+00 -0.545843D+00  0.820810D+00 -0.124217D+00 -0.437666D+00
      2  -0.452552D+01  0.146067D+00  0.624849D+01  0.704531D-01 -0.125859D+01
      3  -0.173493D+01 -0.232269D+01  0.824221D+00 -0.227893D+01 -0.216231D-01
               186           187           188           189           190 
      1  -0.230771D+00  0.140832D+01  0.313562D+01 -0.362561D+01  0.450919D+00
      2   0.319115D+01  0.625155D+01  0.214837D+01 -0.240096D+02  0.230817D+01
      3   0.192555D+01  0.954274D+00  0.390403D+01 -0.332120D+01  0.490013D+01
               191           192           193           194           195 
      1  -0.284968D+00  0.875280D+00 -0.234373D+00  0.130707D+01 -0.367941D+01
      2  -0.118307D+01  0.297538D+01 -0.170067D+01  0.521992D+01 -0.532763D+01
      3  -0.717473D+01  0.628466D+00 -0.105381D+02  0.256622D+02 -0.458045D+01
               196           197           198           199           200 
      1   0.679247D+00  0.150524D+00  0.689247D+00  0.130408D+01  0.823065D+00
      2   0.286095D+01 -0.294366D+01  0.141376D+01  0.788542D+01  0.317479D+01
      3   0.776574D+00 -0.507863D+01  0.248890D+01 -0.101488D+02 -0.856797D+01
               201           202           203           204           205 
      1   0.145610D+00  0.889766D+00  0.109500D+01 -0.787185D+00  0.117582D+01
      2   0.802354D+01  0.476113D+01  0.524708D+01  0.720137D+01  0.714850D+01
      3  -0.410017D+01 -0.101311D+02 -0.862188D+01 -0.571443D+01 -0.526340D+01
               206           207           208           209           210 
      1   0.166459D+01  0.139907D+00  0.245995D+01 -0.100590D+01  0.241059D+00
      2   0.420159D+01  0.737699D+01 -0.758135D+00  0.501448D+00  0.153019D+01
      3  -0.710242D+01 -0.527677D+01 -0.189586D+01  0.351184D+00 -0.149726D+01
               211           212           213           214           215 
      1   0.740925D+00  0.109430D+02 -0.632575D+01 -0.112504D+01 -0.780149D+01
      2  -0.147162D+01 -0.267844D+01  0.158429D+01  0.801034D+00  0.310428D+01
      3   0.584833D+01 -0.114997D+02  0.124483D+01 -0.484350D+01  0.565326D+01
               216           217           218           219           220 
      1   0.512515D+01 -0.228297D+01 -0.185049D+01 -0.284340D+01 -0.313543D+00
      2  -0.198392D+01 -0.288883D+00  0.996075D+00  0.178679D+01 -0.550932D+00
      3  -0.236260D+01  0.286475D+01 -0.277952D+01  0.152086D-01  0.219811D+01
               221           222           223           224           225 
      1   0.333018D+00 -0.303165D+01 -0.145304D+01 -0.333582D+01 -0.812635D+01
      2   0.172812D+01  0.191108D+01 -0.351709D+01  0.351865D+01  0.532538D+01
      3  -0.424489D+01 -0.121867D+01  0.377764D+01 -0.200856D+01 -0.228194D+01
               226           227           228           229           230 
      1  -0.139108D+01  0.130471D+01  0.322100D+01  0.103114D+01 -0.139441D+01
      2  -0.816320D+00  0.244060D+01  0.434953D+01  0.236868D+00 -0.290873D+01
      3  -0.304064D+01 -0.127529D+01 -0.194208D+00  0.285048D+01  0.517842D+01
               231           232           233           234 
      1  -0.256129D+01  0.326461D+01  0.214076D+01 -0.217676D+01
      2  -0.314201D+01  0.211157D+01  0.140919D+01 -0.182218D+01
      3   0.114628D+01  0.124155D+01  0.245248D+01 -0.190096D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.123829D+02 -0.549996D+01 -0.952846D+01 -0.614560D+01 -0.277416D+01
      2   0.913504D+01  0.200380D+01  0.122201D+01  0.132063D+01  0.780920D+01
      3   0.324787D+01  0.349616D+01  0.830645D+01  0.482497D+01 -0.503504D+01
      4   0.149483D+01 -0.236169D+00 -0.269602D+01 -0.209972D+01 -0.319778D+01
      5  -0.154424D-01 -0.493178D+01 -0.978407D+01  0.864541D+00  0.220024D+00
      6  -0.247963D+01  0.797850D+00  0.485973D+01  0.291452D+01  0.293909D+01
                 6             7             8             9            10 
      1   0.689672D+01 -0.201923D+02 -0.132033D+01 -0.255398D+01 -0.621435D+01
      2  -0.170832D+01  0.678260D+01  0.303061D+01  0.642858D+01  0.624151D+01
      3  -0.518840D+01  0.134097D+02 -0.171028D+01 -0.387460D+01 -0.271539D-01
      4  -0.563534D-02 -0.646442D+01  0.711296D+01  0.786065D+01 -0.768929D+00
      5   0.565574D+01 -0.855718D+01  0.648032D+01  0.854426D+01  0.452065D+01
      6  -0.413731D+01  0.799818D+01 -0.366801D+01 -0.720336D+01  0.552467D+01
                11            12            13            14            15 
      1   0.735820D+01 -0.420510D+01  0.770466D+01 -0.107169D+02 -0.636062D+00
      2  -0.689013D+00  0.295315D+01 -0.232427D+01  0.122965D+02  0.202512D+01
      3  -0.666919D+01  0.125195D+01 -0.538039D+01 -0.157959D+01 -0.138905D+01
      4  -0.572171D+01  0.104129D+02 -0.111966D+02  0.756779D+01  0.655598D+01
      5   0.854330D+01 -0.887721D+01  0.279509D+01  0.340083D+01 -0.375140D+01
      6   0.199958D+01 -0.587749D+01  0.624985D+01  0.283270D+01 -0.147023D+01
                16            17            18            19            20 
      1  -0.537392D+01  0.120490D+02 -0.650305D+01  0.955906D+00  0.833145D+01
      2   0.303971D+01 -0.647297D+01  0.672611D+01  0.146185D+01 -0.183739D+01
      3   0.233421D+01 -0.557606D+01 -0.223056D+00 -0.241776D+01 -0.649407D+01
      4   0.174207D+02  0.496250D+01 -0.245142D+01  0.317433D+01  0.738303D+00
      5  -0.847852D+01 -0.338404D+01  0.498798D+01 -0.355252D+01 -0.331762D+01
      6  -0.636946D+01 -0.101204D+01  0.423805D+01 -0.823645D+00 -0.527023D+01
                21            22            23            24            25 
      1   0.613835D+01  0.136526D+02  0.215061D+02 -0.372717D+01  0.709989D+01
      2  -0.122578D+01 -0.771366D+01 -0.258048D+02  0.109920D+02  0.144465D-01
      3  -0.491258D+01 -0.593889D+01  0.429865D+01 -0.726486D+01 -0.711434D+01
      4  -0.555829D+01 -0.997606D+00 -0.180062D+02 -0.553139D+01 -0.587349D+01
      5  -0.750687D+01 -0.484577D+01 -0.525623D+01 -0.976493D+01 -0.962062D+01
      6  -0.710692D+01 -0.378901D+01  0.152526D+01 -0.102217D+02 -0.100496D+02
                26            27            28            29            30 
      1  -0.354777D+01  0.909944D+01  0.209467D+02  0.138027D+02  0.185620D+01
      2   0.208775D+02 -0.115830D+01 -0.151584D+02 -0.742735D+01 -0.235089D+01
      3  -0.173297D+02 -0.794113D+01 -0.578838D+01 -0.637531D+01  0.494691D+00
      4  -0.700666D+01 -0.166333D+02  0.532446D+01  0.210083D+02  0.631205D+01
      5  -0.155874D+02 -0.147924D+02  0.419916D+01  0.461350D+01  0.637313D+01
      6  -0.215685D+02 -0.166520D+02  0.112742D+01 -0.113256D+01 -0.222491D+01
                31            32            33            34            35 
      1   0.155712D+02  0.300089D+02  0.813453D+01  0.756905D+01  0.766808D+01
      2  -0.106129D+02 -0.218014D+02 -0.290631D+01 -0.740141D+01 -0.536416D+01
      3  -0.495830D+01 -0.820755D+01 -0.522822D+01 -0.167637D+00 -0.230392D+01
      4   0.249955D+02  0.520190D+02  0.161973D+01  0.641266D+01  0.312599D+01
      5   0.579439D+01 -0.665214D-02  0.104124D+02  0.163218D+02  0.106608D+02
      6  -0.118184D+01  0.391834D+01  0.335351D+01  0.575910D-03  0.880687D+01
                36            37            38            39            40 
      1   0.756151D+01 -0.216837D+02  0.186846D+01 -0.329729D+01  0.996671D+01
      2  -0.130299D+02  0.162235D+02 -0.226162D+01  0.433384D+00 -0.697957D+01
      3   0.546835D+01  0.546021D+01  0.393154D+00  0.286391D+01 -0.298714D+01
      4   0.792017D+01  0.392423D+01 -0.231101D+02 -0.194349D+02 -0.369396D+02
      5   0.895980D+01 -0.643955D+01 -0.208435D+02 -0.164528D+02 -0.188431D+02
      6  -0.133917D+01 -0.804324D+01 -0.445703D+01 -0.417622D+01  0.261926D+01
                41            42            43            44            45 
      1  -0.252988D+02 -0.238245D+02 -0.107038D+02 -0.292020D+02 -0.192118D+02
      2   0.120055D+02  0.162425D+02  0.536150D+01  0.207241D+02  0.814523D+01
      3   0.132933D+02  0.758200D+01  0.534233D+01  0.847791D+01  0.110665D+02
      4  -0.272004D+02  0.159730D+02 -0.217754D+02  0.148193D+02 -0.271329D+02
      5   0.201447D+02 -0.186524D+02 -0.350130D+02 -0.317316D+02 -0.108266D+02
      6   0.116344D+02 -0.135774D+02 -0.118918D+02 -0.204662D+02 -0.836782D+00
                46            47            48            49            50 
      1  -0.221829D+02 -0.132638D+02 -0.121231D+01 -0.271011D+02 -0.420496D+02
      2   0.131519D+02  0.144017D+02  0.234708D+01  0.242219D+02  0.385215D+02
      3   0.903106D+01 -0.113781D+01 -0.113477D+01  0.287921D+01  0.352815D+01
      4   0.707121D+01 -0.173427D+02 -0.130329D+02 -0.258300D+02 -0.351352D+02
      5   0.101937D+02 -0.102577D+02 -0.372307D+01 -0.846533D+01  0.692985D+01
      6  -0.744375D+01  0.813525D+01  0.332603D+01  0.791094D+01 -0.109309D+02
                51            52            53            54            55 
      1  -0.383626D+01 -0.355845D+01 -0.814080D+01 -0.158043D+02  0.661594D+01
      2   0.177104D+00  0.344562D+01 -0.476930D+01  0.323439D+01 -0.565593D+01
      3   0.365915D+01  0.112824D+00  0.129101D+02  0.125699D+02 -0.960011D+00
      4   0.917008D+01 -0.193402D+02  0.142453D+02 -0.936827D+01  0.414750D+00
      5  -0.806831D+01 -0.185999D+01 -0.923938D+01 -0.136195D+01 -0.405496D+01
      6   0.224699D+01  0.496156D+01  0.158103D+02  0.627250D+00 -0.227016D+01
                56            57            58            59            60 
      1   0.104696D+02  0.792257D+01  0.120885D+02  0.437497D+02 -0.486118D+01
      2  -0.116631D+02 -0.101965D+02 -0.125277D+02 -0.466279D+02  0.980725D+01
      3   0.119350D+01  0.227396D+01  0.439171D+00  0.287821D+01 -0.494608D+01
      4   0.227764D+01  0.175535D+00  0.710337D+01  0.381418D+01 -0.110168D+02
      5  -0.472801D+00 -0.309255D+01  0.143529D+00 -0.700023D+01  0.780495D+00
      6  -0.108880D+02 -0.351370D+01 -0.594095D+01  0.131491D+02 -0.183503D+02
                61            62            63            64            65 
      1   0.832997D+01 -0.736281D+01  0.239572D+02  0.697997D+00  0.369825D+01
      2  -0.777249D+01  0.148369D+02 -0.269425D+02 -0.582828D+01 -0.366454D+01
      3  -0.557476D+00 -0.747414D+01  0.298533D+01  0.513028D+01 -0.337109D-01
      4  -0.142791D+01 -0.141185D+02 -0.280349D+01  0.291547D+01  0.502605D+01
      5  -0.169295D+01 -0.343777D+01 -0.374396D+01  0.122008D+02 -0.810581D+00
      6  -0.100904D+02 -0.385342D+02 -0.714101D+01 -0.179764D+01  0.416954D+01
                66            67            68            69            70 
      1   0.115470D+02  0.599339D+01  0.143135D+02  0.828817D+00  0.209409D+02
      2  -0.912243D+01 -0.420620D+01 -0.905463D+01 -0.219933D+01 -0.141252D+02
      3  -0.242457D+01 -0.178720D+01 -0.525888D+01  0.137051D+01 -0.681574D+01
      4  -0.332988D+01  0.186260D+02 -0.149651D+02  0.778625D+01 -0.502247D+01
      5   0.145076D+02 -0.208456D+00  0.858822D+01  0.214084D+01  0.198898D+02
      6  -0.888339D+00  0.721832D+00 -0.550201D+01  0.338712D+01 -0.281611D+01
                71            72            73            74            75 
      1  -0.200019D+01  0.146501D+02  0.161760D+01  0.498632D+00  0.327933D+01
      2  -0.607556D+00 -0.115581D+02 -0.443900D+01  0.115077D+01  0.378785D+01
      3   0.260775D+01 -0.309201D+01  0.282141D+01 -0.164940D+01 -0.706718D+01
      4   0.561192D+01 -0.110513D+01 -0.685133D+01  0.666653D+01  0.525844D+01
      5   0.744000D+00 -0.221847D+01 -0.838917D+01  0.538836D+01  0.128714D+02
      6   0.452981D+01  0.107979D+01  0.529080D+01 -0.416291D+01 -0.609260D+01
                76            77            78            79            80 
      1   0.786947D+00 -0.902454D+01 -0.887659D+01  0.316301D+01 -0.806015D+01
      2   0.911531D+00  0.341211D+01  0.743752D+00  0.376377D+01 -0.161200D+01
      3  -0.169848D+01  0.561243D+01  0.813284D+01 -0.692678D+01  0.967215D+01
      4   0.419682D+01 -0.473712D+01 -0.574254D+01  0.503781D+01 -0.624984D+01
      5   0.424639D+01 -0.591474D+01 -0.710521D+01  0.966630D+01 -0.775963D+01
      6  -0.330274D+01  0.976500D+01  0.126520D+02 -0.519347D+01  0.124898D+02
                81            82            83            84            85 
      1  -0.187125D+02  0.887071D+01  0.456941D+00 -0.155182D+00 -0.131346D+01
      2  -0.987844D+01 -0.643658D+01  0.547763D+00  0.218510D+01  0.125712D+01
      3   0.285910D+02 -0.243413D+01 -0.100470D+01 -0.202992D+01  0.563331D-01
      4  -0.903201D+01  0.143163D+02  0.129933D+02 -0.100062D+02  0.993613D+01
      5  -0.169723D+02 -0.126692D+02 -0.877513D+01  0.132243D+02 -0.678526D+01
      6   0.184205D+02 -0.860114D+01 -0.783119D+01  0.817128D+01 -0.684548D+01
                86            87            88            89            90 
      1  -0.656032D+01  0.333532D+01 -0.822707D+00  0.286000D+01 -0.571705D+01
      2   0.780257D+01 -0.201996D+01  0.333126D+01 -0.174290D+00 -0.390081D+01
      3  -0.124225D+01 -0.131535D+01 -0.250855D+01 -0.268571D+01  0.961787D+01
      4   0.137615D+02 -0.934666D+01 -0.948545D+01 -0.100213D+02  0.110647D+02
      5  -0.860620D+01  0.677105D+01  0.115087D+02  0.936198D+01 -0.137487D+02
      6  -0.122472D+02  0.110444D+02  0.889424D+01  0.125273D+02 -0.142320D+02
                91            92            93            94            95 
      1   0.353704D+02  0.129268D+02  0.156629D+02  0.148189D+02  0.124948D+02
      2  -0.192458D+02 -0.521060D+01 -0.809700D+01 -0.544310D+01 -0.312349D+01
      3  -0.161246D+02 -0.771616D+01 -0.756587D+01 -0.937579D+01 -0.937128D+01
      4   0.168136D+02  0.137037D+02  0.106934D+02  0.225434D+02  0.216581D+02
      5   0.200375D+02  0.107318D+02  0.176271D+02  0.105575D+02  0.905600D+01
      6   0.638512D+01  0.335127D+01  0.433340D+01  0.437561D+01  0.417885D+01
                96            97            98            99           100 
      1   0.683497D+01  0.349251D+02  0.155558D+02  0.159719D+02  0.499776D+02
      2  -0.214604D+01 -0.200836D+02 -0.776546D+01 -0.124358D+02 -0.289383D+02
      3  -0.468892D+01 -0.148415D+02 -0.779039D+01 -0.353617D+01 -0.210394D+02
      4   0.932248D+01  0.224717D+02  0.175201D+02  0.190212D+02 -0.151896D+02
      5   0.130681D+02  0.309086D+02  0.216297D+02  0.346711D+02 -0.159190D+02
      6   0.785687D+01  0.987133D+01  0.112926D+02  0.109134D+02  0.144835D+01
               101           102           103           104           105 
      1  -0.160274D+02 -0.119738D+02 -0.351921D+02  0.133978D+02  0.936320D+01
      2   0.997597D+01  0.857149D+01  0.202122D+02 -0.693559D+01 -0.725939D+01
      3   0.605144D+01  0.340233D+01  0.149798D+02 -0.646218D+01 -0.210380D+01
      4   0.120966D+02  0.544307D+01  0.184193D+02 -0.166728D+02 -0.742477D+01
      5   0.653241D+01  0.135435D+02  0.129640D+02 -0.796455D+01 -0.940114D+01
      6  -0.533969D+00  0.346412D+00 -0.189543D+01  0.184884D+01  0.290181D+01
               106           107           108           109           110 
      1  -0.174772D+02  0.674673D+01  0.108924D+02  0.389402D+01  0.701433D+01
      2   0.125589D+02 -0.573532D+01 -0.928770D+01 -0.211748D+01 -0.424609D+01
      3   0.491831D+01 -0.101141D+01 -0.160474D+01 -0.177653D+01 -0.276825D+01
      4   0.662498D+01 -0.690020D+01 -0.356006D+01  0.498005D+01  0.507985D+01
      5   0.181736D+02 -0.401000D+01 -0.117569D+02 -0.300577D+01 -0.295790D+00
      6  -0.656931D+00  0.379187D+01  0.115052D+01 -0.203987D+01  0.134075D+01
               111           112           113           114           115 
      1  -0.421173D+01  0.134217D+02 -0.105504D+01  0.531654D+01 -0.783938D+01
      2   0.192393D+01 -0.443231D+01  0.117566D+02 -0.545863D+01  0.441171D+01
      3   0.228780D+01 -0.898934D+01 -0.107015D+02  0.142091D+00  0.342768D+01
      4  -0.659030D+00  0.224369D+02  0.410136D+02 -0.187784D+02 -0.871063D+01
      5   0.467720D+01 -0.793145D+01 -0.212917D+02  0.178455D+02  0.168433D+02
      6   0.419210D+00 -0.686816D+01 -0.188631D+02  0.137264D+02  0.775346D+01
               116           117           118           119           120 
      1   0.668042D+01 -0.848997D+00 -0.305796D+01 -0.653123D+01 -0.466459D+01
      2  -0.606428D+01 -0.211067D+01  0.309548D+01  0.836135D+01  0.465869D+01
      3  -0.616140D+00  0.295967D+01 -0.375268D-01 -0.183012D+01  0.589926D-02
      4  -0.225681D+02  0.195054D+02  0.599394D+01  0.849698D+01  0.518462D+01
      5   0.229565D+02 -0.194253D+02  0.252299D+01  0.356792D+01  0.497643D+01
      6   0.173878D+02 -0.134343D+02  0.737545D+01  0.757457D+01  0.585549D+01
               121           122           123           124           125 
      1  -0.601012D+01 -0.248663D+02 -0.907843D+01 -0.755746D+01 -0.199823D+02
      2   0.772128D+01  0.300095D+02  0.101442D+02  0.614609D+01  0.196784D+02
      3  -0.171116D+01 -0.514327D+01 -0.106580D+01  0.141137D+01  0.303869D+00
      4   0.378077D+01  0.381948D+01  0.366988D+01  0.577916D+01  0.609899D+01
      5   0.169465D+01  0.285888D+01  0.115888D+01  0.531494D+01  0.405702D+01
      6   0.446661D+01  0.147445D+02  0.148271D+02  0.816474D+01  0.282125D+02
               126           127           128           129           130 
      1  -0.198010D+02 -0.152008D+01  0.298740D+01 -0.212400D+01 -0.413701D+01
      2   0.145060D+02  0.463187D+01 -0.590497D+01  0.249158D+01  0.223680D+01
      3   0.529500D+01 -0.311179D+01  0.291757D+01 -0.367583D+00  0.190021D+01
      4   0.447312D+01 -0.381299D+01  0.109426D+02 -0.388247D+01  0.545723D+01
      5   0.318827D+01  0.235490D+01 -0.248234D+01  0.388196D+01 -0.195516D+01
      6   0.239717D+02 -0.445833D+01  0.496098D+01 -0.814921D+00  0.345067D+00
               131           132           133           134           135 
      1  -0.444937D+02  0.144523D+02  0.595456D+00  0.238891D+02 -0.176345D+02
      2   0.613928D+02 -0.185880D+02  0.656067D+00 -0.286161D+02  0.162900D+02
      3  -0.168990D+02  0.413567D+01 -0.125152D+01  0.472695D+01  0.134453D+01
      4  -0.995627D+01  0.441669D+01 -0.364191D+01  0.572764D+01 -0.338374D+01
      5   0.327391D+01 -0.150057D+01  0.327372D+01 -0.181706D+01  0.234716D+01
      6  -0.286079D+02  0.170243D+02  0.237474D+01  0.286301D+02 -0.168983D+02
               136           137           138           139           140 
      1   0.154788D+02 -0.468070D+01 -0.378039D+00 -0.740909D+01  0.690031D+01
      2  -0.577228D+00  0.684537D+01  0.838560D+01  0.112665D+02 -0.208135D+01
      3  -0.149016D+02 -0.216467D+01 -0.800757D+01 -0.385743D+01 -0.481896D+01
      4  -0.861955D+01 -0.329367D+01 -0.201721D+01 -0.978408D+01  0.153090D+02
      5   0.107550D+01 -0.679244D+01 -0.151103D+02 -0.846688D+01 -0.201743D+02
      6  -0.519068D+01 -0.884607D+01 -0.307762D+01 -0.135224D+02  0.200197D+02
               141           142           143           144           145 
      1  -0.452135D+01 -0.103183D+01 -0.228634D+01 -0.100088D+02  0.360841D+01
      2   0.148680D+02  0.796637D+01  0.110562D+02  0.372224D+01 -0.115814D+01
      3  -0.103466D+02 -0.693455D+01 -0.876985D+01  0.628653D+01 -0.245026D+01
      4  -0.164354D+02 -0.791386D+00 -0.105430D+02 -0.367540D+01 -0.157882D+02
      5  -0.903748D+01 -0.202172D+02 -0.621949D+01 -0.108329D+02 -0.200988D+02
      6  -0.193434D+02 -0.237506D+01 -0.151553D+02 -0.811362D+01  0.636950D+00
               146           147           148           149           150 
      1  -0.169345D+02 -0.173330D+02 -0.226348D+02 -0.223964D+02 -0.819321D+01
      2   0.138915D+02  0.703825D+01  0.209228D+02  0.416688D+00  0.695299D+01
      3   0.304291D+01  0.102948D+02  0.171198D+01  0.219797D+02  0.124022D+01
      4  -0.229656D+02 -0.353179D+01 -0.398748D+02  0.355333D+02 -0.172679D+02
      5  -0.382342D+01 -0.186022D+02 -0.588141D+01 -0.156243D+02 -0.121108D+02
      6  -0.200388D+01  0.599436D+00 -0.272138D+01  0.261357D+01 -0.115666D+01
               151           152           153           154           155 
      1  -0.236177D+02 -0.754187D+01 -0.202899D+02 -0.851529D+01  0.145192D-01
      2   0.719523D+01  0.636995D+01  0.173522D+02  0.230334D+01 -0.469316D+00
      3   0.164225D+02  0.117192D+01  0.293769D+01  0.621195D+01  0.454797D+00
      4  -0.473277D+01 -0.181904D+02 -0.958486D+01  0.566248D+01  0.664024D-01
      5  -0.263121D+02 -0.102821D+02  0.315906D+02 -0.147167D+02  0.191255D+01
      6   0.767388D+00  0.118896D+01 -0.375856D+01  0.191367D+01 -0.306368D+01
               156           157           158           159           160 
      1   0.930533D+01  0.146161D+01 -0.235357D+01 -0.139053D+01  0.504413D+01
      2   0.294579D+01 -0.190551D+01  0.108086D+01 -0.230354D+01  0.210989D+01
      3  -0.122511D+02  0.443899D+00  0.127271D+01  0.369406D+01 -0.715402D+01
      4  -0.970890D+00  0.151884D+01 -0.795574D+00  0.139173D+01 -0.840570D+00
      5   0.321858D+01  0.269078D+01  0.785389D+00  0.160718D+01  0.643447D+01
      6   0.183154D+01 -0.131658D+01 -0.936865D+00  0.379608D+01  0.512375D+00
               161           162           163           164           165 
      1  -0.780118D+00 -0.385645D+01  0.720784D+01  0.301128D+01  0.125224D+01
      2  -0.104670D+01 -0.255673D+01 -0.115741D+02 -0.466233D+01 -0.123280D+02
      3   0.182682D+01  0.641318D+01  0.436630D+01  0.165105D+01  0.110758D+02
      4  -0.221782D+00  0.133792D+01  0.604809D+01  0.620444D+01  0.441793D+01
      5   0.464655D+00 -0.392210D+01  0.182570D+02  0.770802D+01  0.215537D+02
      6   0.277534D+01  0.116363D+01  0.582647D+01  0.659230D+01  0.486162D+01
               166           167           168           169           170 
      1   0.415761D+01 -0.233243D+01 -0.414647D+01  0.201261D+00 -0.223438D+01
      2  -0.696792D+01 -0.252038D+01 -0.102669D+02 -0.961686D+01 -0.608980D+01
      3   0.281031D+01  0.485281D+01  0.144134D+02  0.941560D+01  0.832418D+01
      4   0.735698D+01  0.657017D+01  0.897387D+01  0.317323D+01  0.550980D+01
      5   0.122555D+02  0.115427D+02  0.161432D+02  0.167783D+02  0.832543D+01
      6   0.794609D+01  0.842085D+01  0.135151D+02  0.451350D+01  0.927700D+01
               171           172           173           174           175 
      1  -0.758879D+01 -0.111506D+00 -0.134818D+01 -0.484180D-01 -0.490775D+00
      2  -0.175819D+02 -0.904344D-02 -0.770757D+00 -0.230507D+01 -0.212705D+01
      3   0.251707D+02  0.120550D+00  0.211893D+01  0.235349D+01  0.261783D+01
      4   0.621875D+01 -0.536394D+01  0.885126D+01 -0.402402D+01  0.110009D+02
      5   0.244198D+02  0.517744D+01 -0.535047D+01  0.824136D+01 -0.706878D+01
      6   0.104506D+02 -0.474971D+01  0.581307D+01 -0.282389D+01  0.851829D+01
               176           177           178           179           180 
      1  -0.159507D+02  0.122573D+02 -0.107259D+01  0.713491D+01 -0.696009D+01
      2   0.173426D+02 -0.436894D+01 -0.158407D+01 -0.134934D+01 -0.101449D+01
      3  -0.139195D+01 -0.788837D+01  0.265667D+01 -0.578557D+01  0.797458D+01
      4  -0.219239D+02  0.116445D+02 -0.180319D+01  0.564041D+01 -0.510756D+01
      5   0.132207D+02 -0.992442D+01  0.610352D+01 -0.492766D+01  0.767559D+01
      6  -0.310360D+02  0.222098D+02 -0.274958D+01  0.139663D+02 -0.111587D+02
               181           182           183           184           185 
      1   0.106615D+02  0.266283D+01 -0.956763D+01  0.600007D+01  0.316653D+01
      2  -0.828110D+01 -0.188326D+01  0.698611D+01 -0.431361D+01 -0.111311D+01
      3  -0.238036D+01 -0.779567D+00  0.258151D+01 -0.168646D+01 -0.205342D+01
      4   0.179646D+01  0.418568D+01  0.431969D+00  0.779016D+01 -0.133755D+01
      5  -0.115904D+02 -0.388409D+00  0.154715D+02 -0.180550D+01 -0.372003D+01
      6   0.658796D+00 -0.287392D+00 -0.101823D+01 -0.127289D+01 -0.682466D+00
               186           187           188           189           190 
      1  -0.262898D+00 -0.187028D+02  0.652300D+00  0.959739D+01  0.158477D+02
      2   0.116710D+01  0.142859D+02  0.848363D+00 -0.186561D+02 -0.374637D+01
      3  -0.904203D+00  0.441698D+01 -0.150066D+01  0.905871D+01 -0.121014D+02
      4  -0.399461D+01  0.178073D+01 -0.631129D+01  0.264055D+01 -0.153743D+02
      5   0.589865D+01  0.260647D+02  0.335770D+01 -0.472073D+02  0.410953D+01
      6   0.392785D+01 -0.203825D+01  0.354209D+01  0.429557D+01 -0.905052D+00
               191           192           193           194           195 
      1  -0.103650D+02  0.396842D+01 -0.206139D+02  0.916113D+01  0.355623D+00
      2   0.133843D+01 -0.133451D+01  0.286709D+00  0.159921D+02 -0.263204D+01
      3   0.902661D+01 -0.263392D+01  0.203272D+02 -0.251533D+02  0.227641D+01
      4   0.191894D+02 -0.233772D+01  0.373761D+02 -0.547181D+02  0.900325D+01
      5  -0.169681D+01  0.501384D+01 -0.220324D+01  0.760028D+01 -0.880402D+01
      6   0.663394D+00 -0.577044D+00  0.137604D+01 -0.245357D+01  0.603938D+01
               196           197           198           199           200 
      1   0.882720D+01 -0.665129D+00  0.378058D+01  0.495570D+02  0.161348D+02
      2  -0.283042D+01 -0.191759D+01 -0.125818D+01 -0.257572D+02 -0.882544D+01
      3  -0.599678D+01  0.258272D+01 -0.252241D+01 -0.237998D+02 -0.730933D+01
      4  -0.563003D+01  0.105428D+02 -0.677451D+01  0.164469D+02  0.146337D+02
      5   0.986861D+01 -0.674811D+01  0.249667D+01  0.175914D+02  0.656534D+01
      6  -0.320947D+01  0.573693D+01 -0.259696D+01  0.100626D+01  0.680057D+00
               201           202           203           204           205 
      1   0.159828D+02  0.330504D+02  0.151153D+02  0.831945D+01  0.292782D+02
      2  -0.881859D+01 -0.170040D+02 -0.436470D+01 -0.510537D+01 -0.163463D+02
      3  -0.716416D+01 -0.160464D+02 -0.107506D+02 -0.321408D+01 -0.129318D+02
      4   0.641628D+01  0.233497D+02  0.150006D+02  0.107038D+02  0.844802D+01
      5   0.142493D+02  0.106998D+02  0.974928D+01  0.125509D+02  0.211835D+02
      6   0.910916D-01  0.211309D+01  0.180862D+01  0.257003D+01  0.137151D+01
               206           207           208           209           210 
      1   0.687272D+01  0.139768D+02 -0.140422D+01  0.158188D+01 -0.192731D+01
      2  -0.472080D+01 -0.111845D+02  0.328050D+01 -0.183750D+01  0.611712D+00
      3  -0.215193D+01 -0.279226D+01 -0.187628D+01  0.255619D+00  0.131559D+01
      4   0.119062D+02  0.838468D+01  0.990004D+00  0.736357D+01 -0.687558D+00
      5   0.864457D+01  0.150284D+02 -0.139146D+01  0.266579D+00  0.299718D+01
      6   0.218278D+01  0.219359D+01 -0.205567D+01  0.685969D+00  0.830812D+00
               211           212           213           214           215 
      1  -0.780705D+00 -0.253585D+02  0.400971D+01 -0.207599D+01  0.115179D+02
      2   0.257687D+01  0.414087D+02 -0.852927D+01 -0.102497D+01 -0.200189D+02
      3  -0.179616D+01 -0.160503D+02  0.451957D+01  0.310096D+01  0.850098D+01
      4   0.630194D+01  0.144069D+02 -0.205455D+01 -0.275611D+01 -0.643679D+01
      5   0.988483D-01 -0.168720D+01  0.269757D+01  0.322386D+01  0.435138D+01
      6  -0.411762D+00 -0.770773D+01  0.722731D+01  0.223242D+01  0.129163D+02
               216           217           218           219           220 
      1  -0.595482D+01  0.294373D+01 -0.281286D+01 -0.180250D+01 -0.296891D+01
      2   0.602706D+01 -0.437890D+01 -0.269555D-01 -0.265871D+01  0.198968D+01
      3  -0.722496D-01  0.143517D+01  0.283981D+01  0.446121D+01  0.979229D+00
      4   0.500626D+01  0.744058D+01  0.998735D+01  0.926189D+01  0.587488D+01
      5  -0.744583D+00  0.107593D+02  0.838453D+01  0.123293D+02  0.390580D+01
      6  -0.423078D+01  0.725773D+01  0.863582D+01  0.823325D+01  0.547041D+01
               221           222           223           224           225 
      1  -0.111704D+02 -0.697005D+01 -0.208871D+01 -0.110377D+02 -0.176818D+02
      2   0.870897D+01  0.258028D+01 -0.223336D+01 -0.977393D+00 -0.586283D+01
      3   0.246139D+01  0.438977D+01  0.432207D+01  0.120151D+02  0.235446D+02
      4   0.106138D+02  0.784198D+01  0.904050D+01  0.108743D+02  0.144267D+02
      5   0.803268D+01  0.720230D+01  0.121023D+02  0.133833D+02  0.211859D+02
      6   0.124054D+02  0.140299D+02  0.912175D+01  0.212266D+02  0.257278D+02
               226           227           228           229           230 
      1   0.182573D+02 -0.940572D+01 -0.382629D+01 -0.685105D+01 -0.368653D+01
      2  -0.394121D+01 -0.110696D+00  0.156613D+01 -0.241762D+01  0.140186D+02
      3  -0.143161D+02  0.951642D+01  0.226016D+01  0.926867D+01 -0.103321D+02
      4  -0.285773D+02  0.235688D+02  0.106333D+02  0.202347D+02 -0.279801D+02
      5  -0.106624D+02  0.849708D+01  0.915481D+01  0.574947D+01 -0.815734D+01
      6   0.640685D+01 -0.692346D+01 -0.556742D+01 -0.546444D+01  0.963615D+01
               231           232           233           234 
      1  -0.142826D+01 -0.418902D+01  0.886313D+00  0.246514D+01
      2   0.308858D+01  0.161994D+01  0.423151D+01 -0.119043D+01
      3  -0.166032D+01  0.256908D+01 -0.511782D+01 -0.127472D+01
      4  -0.998006D+01  0.121065D+02 -0.151302D+02 -0.724741D+01
      5  -0.581206D+01  0.966873D+01 -0.481160D+01 -0.704739D+01
      6   0.668414D+01 -0.663620D+01  0.452350D+01  0.583560D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 13:46:12 2021, MaxMem=  5637144576 cpu:           15923.4 elap:            2002.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.18891 -10.18348 -10.18327 -10.18294 -10.18175
 Alpha  occ. eigenvalues --  -10.18144 -10.17802 -10.17289 -10.17166 -10.16999
 Alpha  occ. eigenvalues --   -0.87457  -0.80252  -0.74506  -0.72463  -0.68949
 Alpha  occ. eigenvalues --   -0.67584  -0.63593  -0.57277  -0.52739  -0.49573
 Alpha  occ. eigenvalues --   -0.47142  -0.46370  -0.44878  -0.43937  -0.42394
 Alpha  occ. eigenvalues --   -0.41139  -0.40427  -0.39087  -0.38617  -0.38007
 Alpha  occ. eigenvalues --   -0.37523  -0.36858  -0.35832  -0.33377  -0.31702
 Alpha  occ. eigenvalues --   -0.27205  -0.25968  -0.23507
 Alpha virt. eigenvalues --    0.01160   0.02044   0.03174   0.04216   0.04507
 Alpha virt. eigenvalues --    0.05771   0.06355   0.07213   0.08483   0.08639
 Alpha virt. eigenvalues --    0.09188   0.09746   0.10338   0.10810   0.11611
 Alpha virt. eigenvalues --    0.12911   0.13260   0.13555   0.13735   0.14341
 Alpha virt. eigenvalues --    0.14844   0.15033   0.16058   0.16171   0.17919
 Alpha virt. eigenvalues --    0.18304   0.18719   0.20301   0.20710   0.21083
 Alpha virt. eigenvalues --    0.22266   0.22832   0.24257   0.24639   0.25232
 Alpha virt. eigenvalues --    0.25834   0.26127   0.26349   0.27769   0.28136
 Alpha virt. eigenvalues --    0.28402   0.28763   0.29552   0.29833   0.30268
 Alpha virt. eigenvalues --    0.30985   0.31566   0.31813   0.32521   0.32654
 Alpha virt. eigenvalues --    0.33821   0.34175   0.34389   0.34845   0.35075
 Alpha virt. eigenvalues --    0.35450   0.35757   0.36342   0.36626   0.37026
 Alpha virt. eigenvalues --    0.37364   0.37723   0.37968   0.38776   0.39032
 Alpha virt. eigenvalues --    0.39366   0.39529   0.40010   0.40933   0.41229
 Alpha virt. eigenvalues --    0.41831   0.42473   0.43013   0.43437   0.43743
 Alpha virt. eigenvalues --    0.44213   0.44673   0.45222   0.46125   0.46440
 Alpha virt. eigenvalues --    0.46806   0.48033   0.48187   0.48803   0.49301
 Alpha virt. eigenvalues --    0.49770   0.50019   0.50796   0.50844   0.51603
 Alpha virt. eigenvalues --    0.52172   0.52265   0.53092   0.53139   0.53669
 Alpha virt. eigenvalues --    0.54016   0.54664   0.54894   0.56020   0.56233
 Alpha virt. eigenvalues --    0.56633   0.56914   0.57534   0.58588   0.58845
 Alpha virt. eigenvalues --    0.59686   0.60303   0.60898   0.61079   0.61592
 Alpha virt. eigenvalues --    0.62248   0.63134   0.64440   0.64726   0.65512
 Alpha virt. eigenvalues --    0.66987   0.67665   0.68768   0.69790   0.70768
 Alpha virt. eigenvalues --    0.72114   0.72998   0.73543   0.74321   0.75147
 Alpha virt. eigenvalues --    0.76262   0.76907   0.78241   0.78350   0.79217
 Alpha virt. eigenvalues --    0.80198   0.80827   0.82640   0.83747   0.84641
 Alpha virt. eigenvalues --    0.87314   0.90852   0.91371   0.93498   0.94667
 Alpha virt. eigenvalues --    0.96161   0.96388   0.97145   0.97901   0.98850
 Alpha virt. eigenvalues --    0.99458   1.01208   1.01572   1.01834   1.02356
 Alpha virt. eigenvalues --    1.03205   1.04281   1.04969   1.06566   1.07371
 Alpha virt. eigenvalues --    1.07720   1.08517   1.10216   1.11324   1.14176
 Alpha virt. eigenvalues --    1.15201   1.16780   1.17894   1.19494   1.19729
 Alpha virt. eigenvalues --    1.21835   1.23999   1.24481   1.25876   1.28263
 Alpha virt. eigenvalues --    1.30673   1.31573   1.32416   1.34158   1.34595
 Alpha virt. eigenvalues --    1.35654   1.36722   1.37689   1.38399   1.39225
 Alpha virt. eigenvalues --    1.40166   1.41980   1.42805   1.46805   1.48210
 Alpha virt. eigenvalues --    1.49581   1.50171   1.51161   1.55076   1.56641
 Alpha virt. eigenvalues --    1.58920   1.60548   1.64725   1.67468   1.67863
 Alpha virt. eigenvalues --    1.68484   1.70291   1.71461   1.71861   1.72625
 Alpha virt. eigenvalues --    1.75290   1.76092   1.76910   1.78153   1.80951
 Alpha virt. eigenvalues --    1.83485   1.84147   1.84781   1.86384   1.87531
 Alpha virt. eigenvalues --    1.87810   1.91223   1.92319   1.94694   1.97103
 Alpha virt. eigenvalues --    1.98146   2.00324   2.00865   2.01780   2.02801
 Alpha virt. eigenvalues --    2.04945   2.05324   2.06631   2.07501   2.09134
 Alpha virt. eigenvalues --    2.10366   2.10766   2.11781   2.13997   2.14843
 Alpha virt. eigenvalues --    2.16025   2.18448   2.18546   2.19581   2.21173
 Alpha virt. eigenvalues --    2.22810   2.23986   2.24985   2.26719   2.27135
 Alpha virt. eigenvalues --    2.29216   2.30096   2.32942   2.35734   2.37215
 Alpha virt. eigenvalues --    2.39180   2.40653   2.43030   2.43758   2.43887
 Alpha virt. eigenvalues --    2.48810   2.49150   2.52247   2.53946   2.56462
 Alpha virt. eigenvalues --    2.57783   2.58973   2.59583   2.60257   2.61867
 Alpha virt. eigenvalues --    2.65119   2.65852   2.67062   2.69629   2.70466
 Alpha virt. eigenvalues --    2.75845   2.77822   2.82113   2.86516   2.87551
 Alpha virt. eigenvalues --    2.88590   2.93666   2.95368   2.98978   3.00624
 Alpha virt. eigenvalues --    3.03745   3.07339   3.07988   3.09366   3.09651
 Alpha virt. eigenvalues --    3.12059   3.13070   3.15719   3.17231   3.18241
 Alpha virt. eigenvalues --    3.21835   3.22936   3.24542   3.26390   3.38096
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.926948  -0.070582   0.042727   0.291575   0.046129  -0.248503
     2  C   -0.070582   6.718398  -0.116427  -0.306820   0.027929   0.370715
     3  C    0.042727  -0.116427   6.930408  -0.013342  -0.550377  -0.570233
     4  C    0.291575  -0.306820  -0.013342   7.596570   0.084556  -0.243355
     5  C    0.046129   0.027929  -0.550377   0.084556   5.308052  -0.251855
     6  C   -0.248503   0.370715  -0.570233  -0.243355  -0.251855   7.654404
     7  C   -0.124795   0.057930  -0.242303  -0.158213   0.022238   0.214754
     8  C   -0.344308  -0.304759  -0.037691  -0.051415   0.025188  -0.114540
     9  H   -0.071849  -0.263390  -0.990734   0.079996   0.012554   0.023055
    10  H   -0.098605  -0.021277   0.124886   0.076161  -0.002158   0.038503
    11  H    0.005845   0.001647  -0.015675   0.075165   0.179981   0.026480
    12  H   -0.001561   0.000928   0.049964   0.220189   0.097077  -0.065725
    13  H   -0.005724   0.000266   0.012636  -0.008033   0.256534   0.036806
    14  H    0.020007  -0.007663   0.021770   0.058294  -0.002815   0.049114
    15  H    0.003531   0.074057  -0.004317  -0.053954   0.001603  -0.033401
    16  C   -0.096577  -0.089647  -0.109774  -0.045482   0.002290   0.037045
    17  C   -0.368804  -0.354951   0.083476   0.027744  -0.000384   0.008034
    18  H   -0.145729  -0.107177   0.015321  -0.043784   0.009768  -0.034689
    19  H    0.012813   0.044240   0.009425   0.003969  -0.000795   0.002768
    20  H    0.059030   0.017287  -0.021009   0.010213  -0.001199  -0.004466
    21  H   -0.070565  -0.072627   0.009251   0.003079  -0.000011   0.001431
    22  H    0.000056   0.044555   0.004212  -0.000740  -0.000041  -0.000564
    23  H    0.038850  -0.000813  -0.002003  -0.001197  -0.000010  -0.000221
    24  H   -0.119062   0.019753  -0.062468   0.089612  -0.016155   0.107096
    25  H   -0.103024   0.051917   0.055236  -0.152043  -0.017965   0.121537
    26  H    0.034916   0.006389   0.133884   0.015131  -0.106311  -0.473456
               7          8          9         10         11         12
     1  C   -0.124795  -0.344308  -0.071849  -0.098605   0.005845  -0.001561
     2  C    0.057930  -0.304759  -0.263390  -0.021277   0.001647   0.000928
     3  C   -0.242303  -0.037691  -0.990734   0.124886  -0.015675   0.049964
     4  C   -0.158213  -0.051415   0.079996   0.076161   0.075165   0.220189
     5  C    0.022238   0.025188   0.012554  -0.002158   0.179981   0.097077
     6  C    0.214754  -0.114540   0.023055   0.038503   0.026480  -0.065725
     7  C    6.117485  -0.134871   0.115280  -0.961675  -0.001348   0.005725
     8  C   -0.134871  10.387227  -0.324155  -0.307035   0.000010  -0.001559
     9  H    0.115280  -0.324155   4.100058  -0.246439   0.001373  -0.000656
    10  H   -0.961675  -0.307035  -0.246439   3.695563  -0.000035  -0.000054
    11  H   -0.001348   0.000010   0.001373  -0.000035   0.699136  -0.020095
    12  H    0.005725  -0.001559  -0.000656  -0.000054  -0.020095   0.758916
    13  H   -0.002113  -0.000387  -0.001027   0.000038   0.050467   0.003807
    14  H    0.056647  -0.016291  -0.003982   0.037123  -0.000116  -0.000445
    15  H    0.220684   0.012298   0.014433  -0.313000   0.000072   0.000268
    16  C   -0.129888  -1.034507   0.169572   0.138123  -0.000018  -0.000007
    17  C    0.099161  -0.259379  -0.248586  -0.251505  -0.000004   0.000018
    18  H    0.015934   0.159377   0.017655   0.015461  -0.000029   0.000754
    19  H   -0.010243   0.344601  -0.005325   0.007892  -0.000012  -0.000026
    20  H    0.012956   0.337839   0.000261  -0.005093  -0.000020  -0.000040
    21  H    0.008939   0.160080  -0.053328  -0.046506  -0.000001   0.000001
    22  H   -0.003477   0.305134  -0.027562   0.019947  -0.000001   0.000000
    23  H    0.007114   0.308905   0.019449  -0.027328  -0.000000  -0.000000
    24  H    0.025950  -0.031949   0.055659  -0.006737   0.015016  -0.001469
    25  H    0.000484  -0.017534  -0.439290   0.003858  -0.002852   0.008006
    26  H   -0.602062   0.046919  -0.004124   0.039530  -0.006370  -0.027231
              13         14         15         16         17         18
     1  C   -0.005724   0.020007   0.003531  -0.096577  -0.368804  -0.145729
     2  C    0.000266  -0.007663   0.074057  -0.089647  -0.354951  -0.107177
     3  C    0.012636   0.021770  -0.004317  -0.109774   0.083476   0.015321
     4  C   -0.008033   0.058294  -0.053954  -0.045482   0.027744  -0.043784
     5  C    0.256534  -0.002815   0.001603   0.002290  -0.000384   0.009768
     6  C    0.036806   0.049114  -0.033401   0.037045   0.008034  -0.034689
     7  C   -0.002113   0.056647   0.220684  -0.129888   0.099161   0.015934
     8  C   -0.000387  -0.016291   0.012298  -1.034507  -0.259379   0.159377
     9  H   -0.001027  -0.003982   0.014433   0.169572  -0.248586   0.017655
    10  H    0.000038   0.037123  -0.313000   0.138123  -0.251505   0.015461
    11  H    0.050467  -0.000116   0.000072  -0.000018  -0.000004  -0.000029
    12  H    0.003807  -0.000445   0.000268  -0.000007   0.000018   0.000754
    13  H    0.612290  -0.000087  -0.000002   0.001775  -0.000021   0.000264
    14  H   -0.000087   0.837365  -0.131365  -0.015087   0.013565   0.004999
    15  H   -0.000002  -0.131365   1.151819  -0.001951   0.006089  -0.007820
    16  C    0.001775  -0.015087  -0.001951   6.466645  -0.709625   0.471568
    17  C   -0.000021   0.013565   0.006089  -0.709625   6.338098  -0.024885
    18  H    0.000264   0.004999  -0.007820   0.471568  -0.024885   1.153628
    19  H   -0.000138  -0.005223  -0.001128  -0.262019   0.014730  -0.085793
    20  H   -0.000162   0.001243   0.000020  -0.292934   0.013200  -0.096016
    21  H   -0.000001   0.000689   0.000263  -0.001363   0.413383  -0.004604
    22  H    0.000002   0.000252  -0.000339   0.014918  -0.153963  -0.001755
    23  H   -0.000000   0.001050  -0.000005   0.016654  -0.148389  -0.000408
    24  H    0.000594   0.001865   0.001950  -0.006200   0.015684   0.008539
    25  H    0.029134   0.000858  -0.001176  -0.010322   0.007708  -0.006778
    26  H   -0.002204   0.046478  -0.083827  -0.002000  -0.000978   0.002829
              19         20         21         22         23         24
     1  C    0.012813   0.059030  -0.070565   0.000056   0.038850  -0.119062
     2  C    0.044240   0.017287  -0.072627   0.044555  -0.000813   0.019753
     3  C    0.009425  -0.021009   0.009251   0.004212  -0.002003  -0.062468
     4  C    0.003969   0.010213   0.003079  -0.000740  -0.001197   0.089612
     5  C   -0.000795  -0.001199  -0.000011  -0.000041  -0.000010  -0.016155
     6  C    0.002768  -0.004466   0.001431  -0.000564  -0.000221   0.107096
     7  C   -0.010243   0.012956   0.008939  -0.003477   0.007114   0.025950
     8  C    0.344601   0.337839   0.160080   0.305134   0.308905  -0.031949
     9  H   -0.005325   0.000261  -0.053328  -0.027562   0.019449   0.055659
    10  H    0.007892  -0.005093  -0.046506   0.019947  -0.027328  -0.006737
    11  H   -0.000012  -0.000020  -0.000001  -0.000001  -0.000000   0.015016
    12  H   -0.000026  -0.000040   0.000001   0.000000  -0.000000  -0.001469
    13  H   -0.000138  -0.000162  -0.000001   0.000002  -0.000000   0.000594
    14  H   -0.005223   0.001243   0.000689   0.000252   0.001050   0.001865
    15  H   -0.001128   0.000020   0.000263  -0.000339  -0.000005   0.001950
    16  C   -0.262019  -0.292934  -0.001363   0.014918   0.016654  -0.006200
    17  C    0.014730   0.013200   0.413383  -0.153963  -0.148389   0.015684
    18  H   -0.085793  -0.096016  -0.004604  -0.001755  -0.000408   0.008539
    19  H    0.948065  -0.089075  -0.000452  -0.003414   0.003770  -0.000702
    20  H   -0.089075   0.975018  -0.001373   0.010846  -0.000365  -0.009339
    21  H   -0.000452  -0.001373   0.788781  -0.064327  -0.065340   0.000980
    22  H   -0.003414   0.010846  -0.064327   0.857075  -0.016956   0.000423
    23  H    0.003770  -0.000365  -0.065340  -0.016956   0.858616   0.000530
    24  H   -0.000702  -0.009339   0.000980   0.000423   0.000530   0.966468
    25  H    0.000325   0.001470   0.001033   0.000098  -0.000219  -0.099121
    26  H    0.000708  -0.001095  -0.000046   0.000019  -0.000098  -0.016330
              25         26
     1  C   -0.103024   0.034916
     2  C    0.051917   0.006389
     3  C    0.055236   0.133884
     4  C   -0.152043   0.015131
     5  C   -0.017965  -0.106311
     6  C    0.121537  -0.473456
     7  C    0.000484  -0.602062
     8  C   -0.017534   0.046919
     9  H   -0.439290  -0.004124
    10  H    0.003858   0.039530
    11  H   -0.002852  -0.006370
    12  H    0.008006  -0.027231
    13  H    0.029134  -0.002204
    14  H    0.000858   0.046478
    15  H   -0.001176  -0.083827
    16  C   -0.010322  -0.002000
    17  C    0.007708  -0.000978
    18  H   -0.006778   0.002829
    19  H    0.000325   0.000708
    20  H    0.001470  -0.001095
    21  H    0.001033  -0.000046
    22  H    0.000098   0.000019
    23  H   -0.000219  -0.000098
    24  H   -0.099121  -0.016330
    25  H    1.464437  -0.012879
    26  H   -0.012879   2.194890
 Mulliken charges:
               1
     1  C    0.387260
     2  C    0.280122
     3  C    1.243156
     4  C   -1.553876
     5  C    0.876177
     6  C   -0.650736
     7  C    1.389707
     8  C   -3.107200
     9  H   -0.928898
    10  H   -0.909640
    11  H   -0.008616
    12  H   -0.026787
    13  H    0.015288
    14  H    0.031755
    15  H    0.145199
    16  C    1.488810
    17  C    1.480585
    18  H   -0.316630
    19  H    0.071039
    20  H    0.082803
    21  H   -0.007365
    22  H    0.015600
    23  H    0.008414
    24  H    0.059413
    25  H    0.117101
    26  H   -0.182681
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.541638
     2  C   -0.629518
     3  C    1.419670
     4  C   -1.553876
     5  C    0.856063
     6  C   -0.833417
     7  C    1.566661
     8  C   -3.107200
    16  C    1.326021
    17  C    1.497234
 Electronic spatial extent (au):  <R**2>=           1565.5111
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0153    Y=             -0.1118    Z=             -0.1327  Tot=              0.1742
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -64.4096   YY=            -63.1567   ZZ=            -64.6136
   XY=              0.6110   XZ=             -0.6187   YZ=              0.5188
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.3496   YY=              0.9032   ZZ=             -0.5536
   XY=              0.6110   XZ=             -0.6187   YZ=              0.5188
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -3.8725  YYY=              1.9154  ZZZ=             -3.7269  XYY=             -1.0462
  XXY=              0.7291  XXZ=              0.5208  XZZ=              1.8350  YZZ=             -0.6451
  YYZ=              0.3607  XYZ=             -1.6809
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1449.7243 YYYY=           -464.3370 ZZZZ=           -333.3295 XXXY=              1.0814
 XXXZ=             -3.1539 YYYX=             -4.4243 YYYZ=             -4.6399 ZZZX=             -2.3367
 ZZZY=              4.6074 XXYY=           -314.7665 XXZZ=           -290.1726 YYZZ=           -128.4863
 XXYZ=              5.9067 YYXZ=             -0.9022 ZZXY=              4.7642
 N-N= 5.514859429675D+02 E-N=-2.003902827390D+03  KE= 3.856247220415D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 13:46:13 2021, MaxMem=  5637144576 cpu:               6.2 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-6.99461372D-03-4.19829553D-02-4.97388206D-02
 Polarizability= 1.26502754D+02 3.99572358D+00 1.15584620D+02
                 4.11182155D-01 2.40014589D+00 9.70184714D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.2466   -0.2473        2.2304    2.2307
 2      0.2466    0.2473       -1.2365   -1.2363       -5.5810   -5.5833
 3     -2.2304   -2.2307       15.4067   15.4071        1.2347    1.2363
 4      1.2365    1.2363        0.0000    0.0000       -2.2314   -2.2307
 5     -9.8257   -9.8237        2.2314    2.2307       -0.2476   -0.2473
 6     -1.2347   -1.2363        0.2476    0.2473        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.7418    0.7418        6.6922    6.6922
 2      3.7089    3.7089       -0.0000    0.0000        6.6922    6.6922
 3      3.7089    3.7089        0.7418    0.7418       -0.0000    0.0000
 4      0.7418    0.7418       -3.7089   -3.7089      -16.7499  -16.7499
 5     -6.6922   -6.6922       46.2212   46.2212        3.7089    3.7089
 6    -29.4712  -29.4712        6.6922    6.6922       -0.7418   -0.7418
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0425    0.0000        1.0614    0.9891       -8.9530   -8.9229
 2     -1.0628   -0.9891        4.9057    4.9452       22.2716   22.3333
 3      8.9168    8.9229      -61.6816  -61.6282       -4.8678   -4.9452
 4     -4.9348   -4.9452        0.0012    0.0000        8.9359    8.9229
 5     39.4186   39.2950       -8.9474   -8.9229        0.9430    0.9891
 6      4.8003    4.9452       -0.9910   -0.9891        0.0448    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0970    0.0000       22.5363   22.5918       -9.5056   -9.4370
 2    -22.7032  -22.5918       39.8348   39.9798       18.9210   18.8871
 3      9.3832    9.4370       10.8046   10.8240      -40.0956  -39.9798
 4    -40.0625  -39.9798        0.0506    0.0000        9.4251    9.4370
 5    -29.5691  -29.7112       -9.5096   -9.4370       22.8928   22.5918
 6     40.1442   39.9798      -22.6227  -22.5918        0.0495    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.1323  -18.1550       24.7728   24.7823       17.3579   17.3135
 2    -83.4430  -83.2279       52.8461   52.8552       17.3671   17.3135
 3    -83.4367  -83.2279       24.8044   24.7823       21.0011   20.9394
 4    -28.2169  -28.0729       64.8675   65.0729       28.0022   27.8854
 5      3.5421    3.6259       14.7787   14.7511      -65.0789  -65.0729
 6    -42.4584  -42.6365       -3.6767   -3.6259       28.4155   28.0729
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.2833   -4.6047   -0.0007   -0.0003    0.0002    4.3005
 Low frequencies ---   79.9287  158.5335  180.6431
 Diagonal vibrational polarizability:
        1.8139426       1.5843026       3.3831176
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     79.9237               158.5328               180.6427
 Red. masses --      2.6809                 1.6030                 1.3070
 Frc consts  --      0.0101                 0.0237                 0.0251
 IR Inten    --      0.0447                 0.4728                 0.3513
 RamAct Fr= 1--      0.8661                 2.0183                 0.4137
  Dep-P Fr= 1--      0.7454                 0.7423                 0.7274
  Dep-U Fr= 1--      0.8541                 0.8521                 0.8422
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.0002
 Beta2  Fr= 1--      0.1233                 0.2866                 0.0581
 AlphaG Fr= 1--      0.0008                 0.0056                 0.0026
 Gamma2 Fr= 1--     -0.0468                 0.0587                 0.1713
 Delta2 Fr= 1--     -0.0080                -0.0532                -0.0076
 Raman1 Fr= 1--       3.464                  8.073                  1.655
 ROA1   Fr= 1--      -4.744                  3.930                 16.201
 CID1   Fr= 1--      -1.369                  0.487                  9.789
 Raman2 Fr= 1--       1.480                  3.440                  0.697
 ROA2   Fr= 1--      -1.059                  1.833                  4.172
 CID2   Fr= 1--      -0.715                  0.533                  5.987
 Raman3 Fr= 1--       2.959                  6.879                  1.394
 ROA3   Fr= 1--      -4.744                  3.930                 16.201
 CID3   Fr= 1--      -1.603                  0.571                 11.623
 RC180  Fr= 1--       0.708                  0.704                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.07    -0.01  -0.02  -0.00     0.00  -0.02  -0.00
     2   6     0.03   0.02  -0.03     0.00  -0.01  -0.03    -0.01  -0.02  -0.01
     3   6    -0.01   0.05  -0.17    -0.03   0.01  -0.08     0.00  -0.02   0.04
     4   6     0.05  -0.00   0.01     0.00  -0.02   0.02     0.01  -0.00   0.03
     5   6     0.12  -0.06   0.20    -0.02  -0.01  -0.04    -0.02   0.04  -0.01
     6   6     0.04   0.00   0.01     0.04  -0.05   0.10     0.02   0.00   0.02
     7   6    -0.00   0.04  -0.11     0.02  -0.03   0.02    -0.00   0.00  -0.06
     8   6    -0.05  -0.00   0.01    -0.01   0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.08   0.03  -0.04     0.03  -0.03   0.02    -0.01  -0.04  -0.00
    10   1     0.10   0.02   0.03    -0.01  -0.01  -0.04     0.01  -0.04  -0.01
    11   1     0.02  -0.12   0.28    -0.14   0.36  -0.14    -0.18   0.46  -0.11
    12   1     0.13  -0.08   0.27     0.09  -0.09   0.28     0.13  -0.05   0.37
    13   1     0.26  -0.03   0.22    -0.03  -0.26  -0.34    -0.03  -0.26  -0.35
    14   1     0.00   0.16  -0.17     0.06  -0.01  -0.01     0.01   0.09  -0.11
    15   1    -0.06  -0.05  -0.20    -0.04  -0.04   0.02    -0.04  -0.06  -0.13
    16   6    -0.14  -0.04  -0.01     0.02   0.15   0.03    -0.02  -0.08  -0.02
    17   6    -0.04  -0.03   0.11    -0.02  -0.06   0.00     0.02   0.09   0.03
    18   1    -0.14  -0.01  -0.06    -0.02  -0.05  -0.01     0.02   0.09   0.02
    19   1    -0.15  -0.08   0.04    -0.13   0.39  -0.08     0.12  -0.26   0.05
    20   1    -0.19  -0.05  -0.04     0.25   0.25   0.20    -0.21  -0.16  -0.13
    21   1     0.05  -0.01   0.14    -0.01  -0.10  -0.00     0.00  -0.02   0.00
    22   1    -0.08  -0.04   0.11    -0.06  -0.06   0.04     0.13   0.16   0.16
    23   1    -0.07  -0.05   0.18     0.01  -0.06  -0.02    -0.05   0.24  -0.06
    24   1    -0.05  -0.07  -0.32    -0.07  -0.07  -0.18     0.02   0.01   0.07
    25   1    -0.03   0.25  -0.23    -0.03   0.13  -0.13    -0.01  -0.05   0.06
    26   1     0.07  -0.03   0.13     0.07  -0.06   0.18     0.02   0.01   0.02
                      4                      5                      6
                      A                      A                      A
 Frequencies --    188.9809               205.9619               236.2658
 Red. masses --      1.3768                 1.2108                 2.2714
 Frc consts  --      0.0290                 0.0303                 0.0747
 IR Inten    --      0.0864                 0.0053                 0.2991
 RamAct Fr= 1--      0.1094                 1.1873                 0.5591
  Dep-P Fr= 1--      0.7500                 0.7499                 0.0214
  Dep-U Fr= 1--      0.8571                 0.8571                 0.0419
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0118
 Beta2  Fr= 1--      0.0156                 0.1696                 0.0039
 AlphaG Fr= 1--      0.0001                -0.0004                 0.0121
 Gamma2 Fr= 1--     -0.0499                 0.1168                -0.0056
 Delta2 Fr= 1--     -0.0317                 0.0225                -0.0161
 Raman1 Fr= 1--       0.438                  4.749                  2.237
 ROA1   Fr= 1--      -5.801                 11.933                 -1.050
 CID1   Fr= 1--     -13.254                  2.513                 -0.470
 Raman2 Fr= 1--       0.188                  2.035                  0.047
 ROA2   Fr= 1--      -0.943                  2.624                 -0.004
 CID2   Fr= 1--      -5.028                  1.289                 -0.092
 Raman3 Fr= 1--       0.375                  4.071                  0.094
 ROA3   Fr= 1--      -5.801                 11.933                 -1.050
 CID3   Fr= 1--     -15.464                  2.931                -11.195
 RC180  Fr= 1--       0.714                  0.714                 -0.916
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04   0.01    -0.01  -0.03  -0.00     0.01  -0.02   0.08
     2   6     0.01   0.04   0.01    -0.00  -0.03  -0.01     0.01  -0.02   0.07
     3   6     0.02   0.01   0.01    -0.03   0.00  -0.07    -0.05   0.04  -0.10
     4   6     0.00  -0.01   0.00    -0.01  -0.01  -0.01    -0.04   0.01  -0.01
     5   6     0.02  -0.06  -0.02    -0.01   0.01  -0.01    -0.04   0.01  -0.01
     6   6    -0.02  -0.01  -0.00     0.02  -0.02   0.04    -0.03   0.00  -0.00
     7   6    -0.02   0.02   0.00     0.03  -0.03   0.04    -0.06   0.02  -0.12
     8   6     0.00   0.04   0.01    -0.00  -0.01  -0.00     0.01  -0.01   0.09
     9   1     0.02   0.04   0.02     0.01  -0.03   0.01     0.06  -0.04   0.11
    10   1    -0.01   0.05  -0.00    -0.01  -0.02  -0.02     0.06  -0.03   0.10
    11   1     0.01   0.02  -0.06     0.07  -0.17   0.04    -0.01  -0.04  -0.00
    12   1     0.01  -0.11   0.06    -0.07   0.07  -0.20    -0.05   0.02  -0.07
    13   1     0.05  -0.13  -0.11    -0.05   0.15   0.16    -0.05   0.04   0.03
    14   1    -0.04   0.03   0.01     0.06  -0.08   0.06    -0.11   0.27  -0.23
    15   1    -0.04   0.01   0.00     0.02   0.00   0.09    -0.11  -0.16  -0.33
    16   6     0.01   0.07   0.01     0.01   0.04   0.01     0.18  -0.06   0.13
    17   6    -0.03  -0.12  -0.02     0.01   0.04   0.01    -0.01   0.02  -0.06
    18   1     0.11   0.55   0.11     0.05   0.25   0.05     0.20  -0.05   0.26
    19   1     0.38  -0.26   0.02     0.17  -0.08  -0.01     0.27  -0.10   0.08
    20   1    -0.46  -0.06  -0.09    -0.19  -0.00  -0.01     0.20  -0.08   0.06
    21   1    -0.03  -0.11  -0.02    -0.08  -0.37  -0.07    -0.11   0.13  -0.07
    22   1    -0.17  -0.17  -0.08     0.16   0.18   0.42     0.03  -0.00  -0.20
    23   1     0.07  -0.24  -0.00    -0.04   0.37  -0.31     0.04  -0.03  -0.06
    24   1     0.05   0.02   0.02    -0.08  -0.06  -0.14    -0.18  -0.09  -0.27
    25   1     0.03  -0.01   0.02    -0.03   0.10  -0.11    -0.00   0.26  -0.21
    26   1    -0.03  -0.02  -0.01     0.04  -0.03   0.08    -0.02   0.00   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    251.6382               270.7465               339.1865
 Red. masses --      1.5944                 1.8233                 2.5521
 Frc consts  --      0.0595                 0.0787                 0.1730
 IR Inten    --      0.9087                 1.7147                 0.1342
 RamAct Fr= 1--      0.6222                 0.5169                 1.7923
  Dep-P Fr= 1--      0.7263                 0.7400                 0.4486
  Dep-U Fr= 1--      0.8414                 0.8506                 0.6193
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.0110
 Beta2  Fr= 1--      0.0873                 0.0733                 0.1850
 AlphaG Fr= 1--     -0.0012                -0.0038                 0.0011
 Gamma2 Fr= 1--     -0.0384                -0.3909                -0.1221
 Delta2 Fr= 1--      0.1047                -0.0593                -0.0060
 Raman1 Fr= 1--       2.489                  2.068                  7.169
 ROA1   Fr= 1--      -0.333                -39.425                -11.916
 CID1   Fr= 1--      -0.134                -19.068                 -1.662
 Raman2 Fr= 1--       1.047                  0.879                  2.220
 ROA2   Fr= 1--      -1.758                 -8.907                 -2.883
 CID2   Fr= 1--      -1.679                -10.130                 -1.299
 Raman3 Fr= 1--       2.094                  1.759                  4.440
 ROA3   Fr= 1--      -0.333                -39.425                -11.916
 CID3   Fr= 1--      -0.159                -22.418                 -2.684
 RC180  Fr= 1--       0.683                  0.701                  0.239
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.04  -0.01    -0.00   0.05  -0.01    -0.02  -0.09   0.05
     2   6    -0.02  -0.03  -0.06     0.00   0.04  -0.00    -0.01  -0.08   0.00
     3   6    -0.01  -0.03  -0.01     0.04   0.02   0.07    -0.03   0.03   0.03
     4   6     0.02  -0.03   0.05     0.04   0.00   0.09     0.05   0.09   0.02
     5   6    -0.04   0.06  -0.04     0.02  -0.04  -0.10     0.13  -0.10  -0.07
     6   6     0.06  -0.05   0.13     0.04  -0.01   0.13     0.04   0.09   0.01
     7   6     0.02  -0.03  -0.02    -0.03   0.06  -0.08     0.09   0.01   0.01
     8   6    -0.01   0.01  -0.02    -0.01   0.02  -0.01    -0.07  -0.06   0.06
     9   1     0.00  -0.06  -0.01    -0.02   0.04  -0.01    -0.00  -0.15   0.09
    10   1    -0.03  -0.04  -0.07     0.02   0.03   0.01     0.05  -0.12   0.02
    11   1     0.09  -0.06  -0.05     0.24  -0.13  -0.17     0.27  -0.13  -0.13
    12   1    -0.07   0.16  -0.28    -0.11  -0.04  -0.31    -0.04  -0.28  -0.05
    13   1    -0.20   0.17   0.11    -0.09   0.02  -0.02     0.27  -0.15  -0.14
    14   1     0.10   0.06  -0.10     0.01   0.32  -0.24     0.15  -0.06   0.03
    15   1    -0.10  -0.09  -0.07    -0.19  -0.13  -0.28     0.17   0.05   0.05
    16   6    -0.03   0.03  -0.02    -0.04  -0.05  -0.02    -0.10   0.02   0.07
    17   6     0.02   0.07   0.03    -0.03  -0.07  -0.01    -0.09   0.09  -0.13
    18   1     0.01   0.21  -0.00    -0.07  -0.22  -0.06    -0.10   0.09   0.01
    19   1     0.10  -0.09  -0.02    -0.17   0.03   0.02    -0.10   0.02   0.06
    20   1    -0.21  -0.01  -0.05     0.12  -0.02  -0.03    -0.18   0.02   0.13
    21   1     0.14   0.47   0.12    -0.09  -0.35  -0.07    -0.29   0.26  -0.15
    22   1    -0.02  -0.02  -0.32    -0.07  -0.02   0.23     0.07   0.08  -0.32
    23   1    -0.05  -0.16   0.36     0.03   0.04  -0.22    -0.07   0.09  -0.16
    24   1    -0.02  -0.06  -0.05     0.11   0.05   0.11    -0.12   0.02   0.02
    25   1    -0.03   0.03  -0.02    -0.00  -0.04   0.12    -0.07   0.08   0.03
    26   1     0.09  -0.06   0.18     0.04  -0.02   0.15     0.06   0.11   0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    351.7100               408.5685               430.4584
 Red. masses --      2.5746                 2.8090                 2.0125
 Frc consts  --      0.1876                 0.2763                 0.2197
 IR Inten    --      0.1304                 1.1043                 2.4950
 RamAct Fr= 1--      1.0823                 2.2379                 1.2890
  Dep-P Fr= 1--      0.1771                 0.4672                 0.6876
  Dep-U Fr= 1--      0.3009                 0.6368                 0.8149
 Alpha2 Fr= 1--      0.0156                 0.0128                 0.0014
 Beta2  Fr= 1--      0.0543                 0.2375                 0.1751
 AlphaG Fr= 1--      0.0103                -0.0050                 0.0027
 Gamma2 Fr= 1--      0.1238                 0.0316                -0.1769
 Delta2 Fr= 1--     -0.1488                 0.1167                -0.1390
 Raman1 Fr= 1--       4.329                  8.951                  5.156
 ROA1   Fr= 1--       7.118                  6.765                -21.430
 CID1   Fr= 1--       1.644                  0.756                 -4.157
 Raman2 Fr= 1--       0.651                  2.850                  2.101
 ROA2   Fr= 1--       4.161                 -0.177                 -3.133
 CID2   Fr= 1--       6.389                 -0.062                 -1.492
 Raman3 Fr= 1--       1.303                  5.701                  4.202
 ROA3   Fr= 1--       7.118                  6.765                -21.430
 CID3   Fr= 1--       5.464                  1.187                 -5.101
 RC180  Fr= 1--      -0.398                  0.274                  0.630
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.03     0.07   0.00   0.07     0.01  -0.02   0.04
     2   6    -0.02  -0.04  -0.07     0.10  -0.02   0.06    -0.04   0.01  -0.06
     3   6    -0.09   0.10   0.03    -0.02   0.09   0.02     0.01  -0.01  -0.00
     4   6    -0.08   0.11   0.05    -0.10   0.01   0.07     0.10  -0.06   0.22
     5   6     0.00  -0.14  -0.04    -0.11  -0.05   0.03     0.02   0.02  -0.01
     6   6    -0.06   0.11   0.03    -0.07   0.01   0.01    -0.04   0.03  -0.11
     7   6     0.01  -0.00  -0.01    -0.01  -0.06  -0.02    -0.01   0.01   0.01
     8   6     0.03  -0.04  -0.07     0.16  -0.02   0.02    -0.00   0.06  -0.00
     9   1    -0.13  -0.05  -0.06     0.00  -0.00   0.04     0.03  -0.06   0.06
    10   1    -0.06  -0.06  -0.12     0.05   0.01   0.04    -0.08  -0.01  -0.10
    11   1     0.16  -0.18  -0.10    -0.08  -0.03   0.00     0.18   0.14  -0.15
    12   1    -0.20  -0.33  -0.02    -0.15  -0.07   0.02    -0.00   0.07  -0.12
    13   1     0.16  -0.18  -0.11    -0.12  -0.06   0.01    -0.23  -0.04  -0.06
    14   1     0.08  -0.05  -0.02    -0.08   0.07  -0.06    -0.02  -0.19   0.12
    15   1     0.06   0.03   0.01     0.00  -0.14  -0.12     0.08   0.15   0.16
    16   6     0.12  -0.01  -0.06    -0.14   0.04  -0.06     0.00  -0.02  -0.01
    17   6     0.09  -0.02   0.15     0.18  -0.01  -0.10    -0.02  -0.01   0.01
    18   1     0.14   0.00   0.04    -0.19   0.10  -0.41    -0.01  -0.10   0.00
    19   1     0.19  -0.01  -0.12    -0.33   0.05   0.10    -0.03  -0.07   0.05
    20   1     0.14  -0.01  -0.07    -0.31   0.04   0.06     0.05  -0.04  -0.12
    21   1     0.34   0.01   0.21     0.05   0.02  -0.12    -0.00  -0.06   0.01
    22   1     0.05  -0.01   0.20     0.23  -0.02  -0.16    -0.10  -0.02   0.04
    23   1    -0.07  -0.02   0.32     0.24  -0.01  -0.16     0.03  -0.05  -0.00
    24   1    -0.15   0.09   0.01    -0.09  -0.03  -0.13    -0.04  -0.29  -0.37
    25   1    -0.14   0.14   0.03     0.03   0.25  -0.07    -0.10   0.43  -0.14
    26   1    -0.02   0.16   0.03    -0.03   0.09  -0.04    -0.13   0.07  -0.34
                     13                     14                     15
                      A                      A                      A
 Frequencies --    465.2975               509.7347               580.4267
 Red. masses --      2.3762                 4.0923                 4.0635
 Frc consts  --      0.3031                 0.6265                 0.8066
 IR Inten    --      0.8969                 0.5477                 0.3997
 RamAct Fr= 1--      0.2142                 2.0969                 3.4520
  Dep-P Fr= 1--      0.7245                 0.6765                 0.5151
  Dep-U Fr= 1--      0.8402                 0.8071                 0.6800
 Alpha2 Fr= 1--      0.0001                 0.0027                 0.0159
 Beta2  Fr= 1--      0.0300                 0.2821                 0.3912
 AlphaG Fr= 1--      0.0002                -0.0011                -0.0133
 Gamma2 Fr= 1--      0.0380                 0.1065                -0.4358
 Delta2 Fr= 1--      0.0970                 0.0263                 0.0905
 Raman1 Fr= 1--       0.857                  8.388                 13.808
 ROA1   Fr= 1--       6.748                 11.064                -38.943
 CID1   Fr= 1--       7.875                  1.319                 -2.820
 Raman2 Fr= 1--       0.360                  3.385                  4.695
 ROA2   Fr= 1--       0.135                  2.345                -11.184
 CID2   Fr= 1--       0.376                  0.693                 -2.382
 Raman3 Fr= 1--       0.720                  6.769                  9.389
 ROA3   Fr= 1--       6.748                 11.064                -38.943
 CID3   Fr= 1--       9.373                  1.634                 -4.148
 RC180  Fr= 1--       0.680                  0.614                  0.360
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.07   0.14    -0.03   0.13  -0.03    -0.20   0.03   0.16
     2   6    -0.06   0.01  -0.15     0.21   0.08  -0.10     0.01   0.08   0.12
     3   6    -0.01   0.01  -0.01    -0.03   0.06   0.03    -0.18  -0.19  -0.00
     4   6    -0.04   0.05  -0.12    -0.12  -0.06   0.07     0.01  -0.06  -0.04
     5   6     0.00  -0.00   0.00    -0.20  -0.13   0.03     0.00  -0.05  -0.01
     6   6     0.01  -0.00   0.07     0.12  -0.08  -0.07     0.17  -0.05  -0.08
     7   6    -0.00  -0.01   0.00     0.21  -0.07  -0.06     0.11   0.21   0.03
     8   6     0.05   0.20   0.05    -0.06   0.09   0.04     0.04   0.04  -0.03
     9   1     0.13  -0.21   0.24     0.00  -0.06   0.07    -0.27   0.24   0.03
    10   1    -0.17  -0.04  -0.28     0.33   0.05  -0.01    -0.12  -0.15  -0.15
    11   1    -0.08  -0.06   0.07    -0.13  -0.12  -0.01     0.03  -0.08  -0.02
    12   1     0.01  -0.03   0.07    -0.26  -0.16   0.01    -0.05  -0.11   0.01
    13   1     0.14   0.02   0.02    -0.21  -0.14   0.02     0.09  -0.06  -0.04
    14   1     0.12  -0.15   0.03     0.18  -0.22   0.03    -0.04   0.38  -0.00
    15   1    -0.05   0.09   0.14     0.16   0.05   0.10     0.04   0.07  -0.13
    16   6    -0.01  -0.05  -0.01     0.01  -0.03   0.06     0.00   0.01  -0.08
    17   6     0.01  -0.02  -0.01    -0.12   0.05   0.01     0.08  -0.00   0.00
    18   1    -0.05  -0.23  -0.06     0.02  -0.14   0.19    -0.02  -0.01  -0.18
    19   1    -0.14  -0.21   0.27     0.04  -0.09   0.10    -0.07  -0.02   0.01
    20   1     0.04  -0.13  -0.31     0.12  -0.05  -0.12    -0.03  -0.01  -0.13
    21   1    -0.03  -0.12  -0.03    -0.17   0.08   0.00     0.16   0.00   0.02
    22   1    -0.21  -0.07   0.02    -0.11   0.05  -0.03     0.06   0.00   0.04
    23   1     0.20  -0.13  -0.08    -0.09   0.05  -0.01     0.02   0.00   0.06
    24   1    -0.18   0.02   0.03     0.16   0.09   0.04    -0.29  -0.28  -0.12
    25   1     0.13   0.00  -0.07    -0.02  -0.04   0.06    -0.10  -0.01  -0.12
    26   1     0.06  -0.04   0.22     0.25   0.09  -0.09     0.12  -0.10  -0.09
                     16                     17                     18
                      A                      A                      A
 Frequencies --    686.5165               724.3458               772.3555
 Red. masses --      3.1662                 4.1366                 2.8073
 Frc consts  --      0.8792                 1.2787                 0.9867
 IR Inten    --      0.1763                 1.4356                 2.2058
 RamAct Fr= 1--      9.1878                13.9416                 6.5253
  Dep-P Fr= 1--      0.1686                 0.0811                 0.4806
  Dep-U Fr= 1--      0.2885                 0.1500                 0.6492
 Alpha2 Fr= 1--      0.1354                 0.2556                 0.0352
 Beta2  Fr= 1--      0.4418                 0.3486                 0.7061
 AlphaG Fr= 1--      0.0662                 0.1609                -0.1636
 Gamma2 Fr= 1--     -0.7962                -0.8988                 1.4002
 Delta2 Fr= 1--     -0.3285                -0.9434                 1.2428
 Raman1 Fr= 1--      36.751                 55.766                 26.101
 ROA1   Fr= 1--     -86.950               -116.476                174.194
 CID1   Fr= 1--      -2.366                 -2.089                  6.674
 Raman2 Fr= 1--       5.302                  4.183                  8.473
 ROA2   Fr= 1--     -16.482                -14.024                 23.663
 CID2   Fr= 1--      -3.109                 -3.352                  2.793
 Raman3 Fr= 1--      10.603                  8.367                 16.946
 ROA3   Fr= 1--     -86.950               -116.476                174.194
 CID3   Fr= 1--      -8.200                -13.921                 10.279
 RC180  Fr= 1--      -0.423                 -0.700                  0.298
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.13  -0.10     0.17  -0.15  -0.04    -0.01   0.07   0.20
     2   6    -0.10  -0.01  -0.14    -0.04   0.04  -0.05     0.02   0.10  -0.13
     3   6    -0.05  -0.01  -0.04     0.11  -0.12  -0.07     0.05   0.13   0.08
     4   6     0.02  -0.02   0.02    -0.02   0.02   0.02     0.00  -0.05  -0.05
     5   6     0.02   0.00  -0.00    -0.21  -0.09   0.05     0.03   0.00  -0.01
     6   6     0.02  -0.01  -0.01    -0.02   0.11   0.04     0.01  -0.08  -0.01
     7   6    -0.02   0.05  -0.05     0.03   0.33   0.02    -0.05   0.05  -0.03
     8   6     0.04  -0.03   0.06    -0.03  -0.09  -0.02    -0.04  -0.19  -0.04
     9   1    -0.14   0.18  -0.14     0.27  -0.13  -0.01    -0.11  -0.10   0.24
    10   1    -0.14  -0.06  -0.21     0.09  -0.03   0.01     0.00  -0.04  -0.24
    11   1     0.08   0.03  -0.05    -0.19  -0.07   0.03    -0.07   0.03   0.03
    12   1    -0.00   0.01  -0.05    -0.25  -0.10   0.02     0.15   0.11  -0.02
    13   1    -0.06  -0.02  -0.01    -0.26  -0.10   0.05    -0.02   0.04   0.03
    14   1     0.09  -0.20   0.03     0.13   0.14   0.08    -0.09  -0.13   0.07
    15   1    -0.00   0.21   0.15     0.09   0.43   0.13    -0.14   0.20   0.17
    16   6    -0.05  -0.04   0.25    -0.01  -0.02   0.02    -0.00  -0.04  -0.03
    17   6     0.20  -0.04  -0.03     0.00  -0.02  -0.01    -0.02  -0.04  -0.01
    18   1    -0.06  -0.03   0.20     0.01   0.06   0.05     0.01   0.04  -0.03
    19   1    -0.10  -0.04   0.30     0.05   0.06  -0.12     0.04   0.07  -0.18
    20   1    -0.09  -0.04   0.30    -0.01   0.02   0.17    -0.02   0.02   0.16
    21   1     0.10  -0.00  -0.05    -0.03   0.01  -0.01     0.03   0.13   0.03
    22   1     0.28  -0.03  -0.10     0.07  -0.01  -0.03     0.33   0.05  -0.02
    23   1     0.26  -0.03  -0.09    -0.03   0.02  -0.02    -0.31   0.16   0.08
    24   1     0.15   0.09   0.07     0.10  -0.10  -0.03    -0.03   0.02  -0.06
    25   1    -0.12  -0.19   0.06     0.14  -0.15  -0.06     0.25   0.26  -0.07
    26   1     0.04  -0.07   0.12    -0.05  -0.02   0.20     0.03  -0.18   0.17
                     19                     20                     21
                      A                      A                      A
 Frequencies --    805.5720               835.8320               917.7812
 Red. masses --      1.5377                 1.8369                 2.9519
 Frc consts  --      0.5880                 0.7561                 1.4650
 IR Inten    --     12.4185                 0.2313                 2.0172
 RamAct Fr= 1--      2.1270                 5.7171                 0.6691
  Dep-P Fr= 1--      0.5591                 0.0827                 0.4864
  Dep-U Fr= 1--      0.7172                 0.1528                 0.6544
 Alpha2 Fr= 1--      0.0077                 0.1044                 0.0035
 Beta2  Fr= 1--      0.2542                 0.1456                 0.0730
 AlphaG Fr= 1--      0.0714                -0.2451                 0.0059
 Gamma2 Fr= 1--      3.6388                -1.7488                -0.8208
 Delta2 Fr= 1--      1.8342                -1.1042                -0.5361
 Raman1 Fr= 1--       8.508                 22.868                  2.676
 ROA1   Fr= 1--     408.023               -203.220                -95.955
 CID1   Fr= 1--      47.958                 -8.886                -35.854
 Raman2 Fr= 1--       3.051                  1.748                  0.876
 ROA2   Fr= 1--      72.659                -33.138                -15.411
 CID2   Fr= 1--      23.816                -18.962                -17.598
 Raman3 Fr= 1--       6.102                  3.495                  1.751
 ROA3   Fr= 1--     408.023               -203.220                -95.955
 CID3   Fr= 1--      66.871                -58.143                -54.786
 RC180  Fr= 1--       0.434                 -0.694                  0.309
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.05  -0.01    -0.01   0.06   0.05     0.04  -0.13  -0.08
     2   6     0.11   0.05   0.03    -0.13  -0.10   0.08    -0.11  -0.02   0.06
     3   6    -0.10  -0.03  -0.03     0.08   0.05  -0.02    -0.04   0.21   0.10
     4   6     0.01  -0.01   0.04     0.01   0.00   0.01     0.02  -0.04  -0.03
     5   6     0.06   0.02   0.01    -0.04  -0.03   0.03    -0.02  -0.05  -0.01
     6   6    -0.05   0.00  -0.05     0.03   0.03  -0.08     0.18  -0.12  -0.08
     7   6    -0.06   0.02  -0.05     0.03  -0.03  -0.06    -0.04   0.08   0.01
     8   6    -0.00   0.02   0.01     0.03   0.00   0.03    -0.03   0.04  -0.02
     9   1     0.07  -0.20   0.09    -0.07   0.36  -0.12    -0.12  -0.27  -0.10
    10   1     0.22   0.10   0.16    -0.23  -0.22  -0.08     0.13   0.09   0.36
    11   1     0.23   0.11  -0.12     0.05   0.06  -0.06    -0.14  -0.01   0.04
    12   1    -0.01   0.03  -0.12    -0.07   0.01  -0.08     0.12   0.08  -0.01
    13   1    -0.12  -0.05  -0.05    -0.21  -0.07  -0.00    -0.08   0.00   0.05
    14   1    -0.20  -0.21   0.12     0.00  -0.14   0.01    -0.12   0.01   0.08
    15   1     0.08   0.19   0.13     0.27   0.03  -0.04    -0.12   0.11   0.07
    16   6     0.01   0.01  -0.02     0.02   0.00  -0.06    -0.02  -0.02   0.02
    17   6     0.01   0.00  -0.00    -0.04   0.02   0.02     0.06   0.04  -0.02
    18   1     0.00  -0.01  -0.05     0.02   0.04  -0.11     0.00   0.05   0.10
    19   1    -0.01  -0.01   0.01     0.00   0.03  -0.06     0.04   0.05  -0.10
    20   1     0.00  -0.00  -0.06    -0.01   0.01  -0.01     0.00   0.02   0.11
    21   1     0.01   0.00  -0.00    -0.08  -0.02   0.01     0.15  -0.15  -0.03
    22   1     0.01  -0.00  -0.00    -0.12  -0.01   0.01    -0.25  -0.03   0.05
    23   1     0.01   0.00  -0.00     0.03  -0.03  -0.01     0.23  -0.14  -0.01
    24   1    -0.10   0.10   0.15     0.09   0.08   0.01    -0.21   0.16   0.06
    25   1    -0.12  -0.22   0.06     0.20  -0.01  -0.05    -0.15   0.27   0.12
    26   1     0.15  -0.19   0.61     0.28  -0.10   0.56     0.15  -0.18  -0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    937.4637               953.4522               962.3729
 Red. masses --      1.8776                 1.7582                 1.7249
 Frc consts  --      0.9722                 0.9417                 0.9412
 IR Inten    --      1.2735                 3.2078                 3.5145
 RamAct Fr= 1--      0.5946                 2.8362                 5.7228
  Dep-P Fr= 1--      0.5866                 0.5479                 0.7470
  Dep-U Fr= 1--      0.7395                 0.7079                 0.8552
 Alpha2 Fr= 1--      0.0018                 0.0110                 0.0003
 Beta2  Fr= 1--      0.0733                 0.3346                 0.8157
 AlphaG Fr= 1--      0.0198                 0.0697                 0.0071
 Gamma2 Fr= 1--      0.2731                -0.4659                 0.8715
 Delta2 Fr= 1--      0.0126                -0.5073                 0.5057
 Raman1 Fr= 1--       2.379                 11.345                 22.891
 ROA1   Fr= 1--      26.619                -60.963                 99.847
 CID1   Fr= 1--      11.192                 -5.374                  4.362
 Raman2 Fr= 1--       0.879                  4.016                  9.788
 ROA2   Fr= 1--       6.453                 -7.124                 16.870
 CID2   Fr= 1--       7.338                 -1.774                  1.724
 Raman3 Fr= 1--       1.759                  8.031                 19.576
 ROA3   Fr= 1--      26.619                -60.963                 99.847
 CID3   Fr= 1--      15.135                 -7.591                  5.101
 RC180  Fr= 1--       0.479                  0.416                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01  -0.00    -0.03  -0.03  -0.06     0.03  -0.06   0.02
     2   6     0.04  -0.09  -0.01     0.10  -0.01   0.01     0.01   0.05  -0.01
     3   6    -0.02   0.12  -0.07     0.04  -0.03   0.13     0.01   0.04  -0.04
     4   6     0.05  -0.07  -0.00    -0.00  -0.02  -0.05     0.01   0.01   0.02
     5   6     0.03  -0.07  -0.01     0.02  -0.02  -0.04    -0.01  -0.01   0.04
     6   6    -0.10  -0.01   0.02    -0.12   0.02   0.00     0.01   0.02  -0.10
     7   6     0.06   0.09   0.05     0.05   0.02  -0.00     0.02  -0.05   0.13
     8   6     0.03   0.02   0.04     0.01   0.04  -0.06    -0.03   0.01  -0.08
     9   1    -0.00  -0.18   0.11    -0.27   0.15  -0.26     0.08  -0.03   0.03
    10   1     0.00  -0.20  -0.12     0.03  -0.12  -0.13    -0.31   0.08  -0.29
    11   1    -0.18   0.10   0.02    -0.23  -0.02   0.09     0.12   0.07  -0.07
    12   1     0.35   0.26  -0.09     0.22   0.13   0.01    -0.08  -0.02  -0.06
    13   1    -0.32   0.01   0.12     0.00   0.07   0.07    -0.14  -0.07  -0.02
    14   1     0.14   0.19  -0.03     0.04   0.04  -0.01    -0.17   0.39  -0.03
    15   1     0.13  -0.02  -0.10     0.16  -0.01  -0.06    -0.08  -0.34  -0.22
    16   6     0.03   0.03  -0.03    -0.04  -0.00   0.07    -0.05   0.01   0.08
    17   6    -0.02  -0.01   0.02    -0.01   0.03  -0.02     0.01  -0.03  -0.06
    18   1    -0.00  -0.04  -0.13    -0.02  -0.04   0.19    -0.04  -0.08   0.22
    19   1    -0.06  -0.06   0.15     0.02  -0.02   0.05     0.02  -0.06   0.09
    20   1    -0.00  -0.02  -0.17     0.04  -0.01   0.00     0.04  -0.02  -0.07
    21   1    -0.10   0.06   0.01     0.08  -0.05  -0.01     0.27   0.02   0.01
    22   1     0.07   0.00  -0.03    -0.15   0.01   0.04     0.08   0.03   0.08
    23   1    -0.02   0.03  -0.01     0.01  -0.04   0.03    -0.24   0.06   0.10
    24   1     0.11   0.28   0.15    -0.18  -0.29  -0.20     0.01   0.14   0.09
    25   1    -0.10  -0.19   0.09     0.03   0.38  -0.04     0.03  -0.11   0.01
    26   1    -0.28  -0.14  -0.13    -0.03  -0.15   0.41     0.14  -0.02   0.19
                     25                     26                     27
                      A                      A                      A
 Frequencies --    975.4490               996.2290              1017.0045
 Red. masses --      1.3716                 1.5196                 1.7075
 Frc consts  --      0.7689                 0.8886                 1.0406
 IR Inten    --      3.1744                 3.8415                 2.2438
 RamAct Fr= 1--      1.3206                 1.3730                 4.3163
  Dep-P Fr= 1--      0.7362                 0.6063                 0.5472
  Dep-U Fr= 1--      0.8481                 0.7549                 0.7073
 Alpha2 Fr= 1--      0.0003                 0.0036                 0.0168
 Beta2  Fr= 1--      0.1867                 0.1727                 0.5089
 AlphaG Fr= 1--     -0.0025                 0.0156                 0.1071
 Gamma2 Fr= 1--      0.3524                 0.3926                -3.8027
 Delta2 Fr= 1--     -0.0096                 0.3377                -1.2406
 Raman1 Fr= 1--       5.283                  5.492                 17.265
 ROA1   Fr= 1--      33.518                 48.492               -404.756
 CID1   Fr= 1--       6.345                  8.830                -23.443
 Raman2 Fr= 1--       2.240                  2.073                  6.106
 ROA2   Fr= 1--       8.534                  6.720                -81.339
 CID2   Fr= 1--       3.810                  3.242                -13.321
 Raman3 Fr= 1--       4.480                  4.146                 12.213
 ROA3   Fr= 1--      33.518                 48.492               -404.756
 CID3   Fr= 1--       7.482                 11.696                -33.143
 RC180  Fr= 1--       0.696                  0.510                  0.415
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.01    -0.08   0.07   0.03    -0.01   0.05  -0.08
     2   6    -0.00   0.00   0.01    -0.07  -0.02   0.02    -0.04  -0.03  -0.08
     3   6     0.01   0.00   0.01     0.05  -0.03   0.00    -0.00  -0.02   0.07
     4   6     0.00   0.00  -0.00     0.02   0.00  -0.01    -0.00  -0.01   0.01
     5   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.01    -0.02   0.04  -0.02
     6   6    -0.01   0.01  -0.01    -0.02   0.05   0.00     0.00   0.00  -0.10
     7   6     0.01  -0.01   0.01     0.03  -0.03  -0.01    -0.00   0.02   0.11
     8   6    -0.07   0.01   0.03    -0.08   0.02  -0.00     0.05  -0.02   0.05
     9   1     0.01   0.02   0.01     0.14  -0.38   0.35     0.08  -0.29   0.11
    10   1    -0.01  -0.02  -0.02     0.24   0.16   0.43     0.05   0.14   0.11
    11   1    -0.01   0.00   0.00    -0.11  -0.02   0.04    -0.02  -0.10   0.04
    12   1     0.01   0.01  -0.00     0.06   0.04   0.01    -0.11  -0.10   0.08
    13   1    -0.01   0.00   0.00    -0.03   0.02   0.04     0.23   0.04  -0.04
    14   1    -0.01   0.03  -0.01     0.17  -0.02  -0.07    -0.00   0.28  -0.03
    15   1     0.01  -0.04  -0.03     0.14  -0.05  -0.07    -0.12  -0.18  -0.12
    16   6    -0.09   0.03  -0.07    -0.01   0.02  -0.01     0.07   0.01  -0.02
    17   6     0.09  -0.03   0.06     0.07  -0.01  -0.08    -0.03  -0.03   0.07
    18   1    -0.00  -0.10   0.50    -0.01  -0.03   0.06     0.02   0.01  -0.29
    19   1     0.26  -0.04  -0.30     0.01  -0.02   0.01    -0.11  -0.02   0.17
    20   1     0.28   0.04  -0.30     0.02   0.00  -0.08    -0.09  -0.02  -0.01
    21   1    -0.35   0.08  -0.02     0.42  -0.06  -0.01    -0.34   0.11   0.02
    22   1     0.28  -0.05  -0.21     0.02   0.02   0.12     0.18  -0.01  -0.12
    23   1     0.28   0.02  -0.20    -0.09  -0.02   0.12     0.05   0.05  -0.10
    24   1    -0.01  -0.01  -0.01     0.16  -0.09  -0.09     0.07  -0.15  -0.13
    25   1     0.02   0.02  -0.01     0.11   0.04  -0.05    -0.09   0.18   0.02
    26   1     0.02  -0.00   0.05     0.03   0.02   0.13     0.10  -0.18   0.34
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1034.6888              1056.4474              1074.6046
 Red. masses --      1.5421                 1.5889                 1.4831
 Frc consts  --      0.9727                 1.0448                 1.0090
 IR Inten    --      0.2628                 1.8168                 0.2871
 RamAct Fr= 1--      1.4991                 4.0245                 1.4434
  Dep-P Fr= 1--      0.4975                 0.2579                 0.5871
  Dep-U Fr= 1--      0.6645                 0.4101                 0.7398
 Alpha2 Fr= 1--      0.0075                 0.0466                 0.0044
 Beta2  Fr= 1--      0.1660                 0.2750                 0.1780
 AlphaG Fr= 1--      0.0046                 0.0168                -0.0488
 Gamma2 Fr= 1--     -0.7477                -0.5173                 1.9758
 Delta2 Fr= 1--     -0.3851                -0.2963                 0.8552
 Raman1 Fr= 1--       5.996                 16.098                  5.774
 ROA1   Fr= 1--     -84.099                -59.140                217.044
 CID1   Fr= 1--     -14.025                 -3.674                 37.591
 Raman2 Fr= 1--       1.992                  3.300                  2.136
 ROA2   Fr= 1--     -14.863                -10.044                 40.577
 CID2   Fr= 1--      -7.461                 -3.043                 18.998
 Raman3 Fr= 1--       3.984                  6.601                  4.272
 ROA3   Fr= 1--     -84.099                -59.140                217.044
 CID3   Fr= 1--     -21.107                 -8.959                 50.810
 RC180  Fr= 1--       0.329                 -0.180                  0.480
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.05    -0.04   0.00   0.00    -0.00  -0.01   0.02
     2   6    -0.02   0.04  -0.08     0.05  -0.08   0.00     0.02   0.01   0.03
     3   6    -0.05  -0.02  -0.02     0.05   0.05  -0.02    -0.01   0.02  -0.06
     4   6    -0.01  -0.01   0.00    -0.05  -0.04  -0.00     0.04  -0.03   0.12
     5   6     0.04  -0.02   0.01    -0.00   0.12   0.04    -0.04   0.03  -0.13
     6   6    -0.05   0.02  -0.03    -0.05  -0.08  -0.00    -0.00   0.01  -0.02
     7   6     0.06  -0.03   0.06     0.02   0.07   0.02    -0.01  -0.00  -0.02
     8   6     0.00  -0.01   0.00    -0.01   0.01  -0.00    -0.01   0.00   0.00
     9   1     0.01  -0.01   0.07    -0.10  -0.17   0.05     0.11  -0.04   0.10
    10   1     0.07   0.10   0.05     0.08  -0.27  -0.10    -0.16  -0.10  -0.21
    11   1     0.04   0.09  -0.04     0.39  -0.03  -0.09    -0.41  -0.30   0.22
    12   1     0.11   0.09  -0.07    -0.40  -0.25   0.05     0.10  -0.05   0.25
    13   1    -0.15  -0.03   0.02     0.28  -0.05  -0.18     0.47   0.23   0.07
    14   1     0.15   0.17  -0.09     0.01   0.06   0.02    -0.08  -0.04   0.03
    15   1    -0.03  -0.17  -0.10     0.04   0.03  -0.02     0.03   0.03   0.02
    16   6    -0.01  -0.11  -0.02    -0.03  -0.01  -0.00    -0.02  -0.03  -0.01
    17   6     0.02   0.08   0.03     0.01   0.05  -0.02     0.01   0.02  -0.01
    18   1     0.05   0.20   0.00    -0.00   0.01   0.11     0.01   0.05   0.04
    19   1     0.07   0.19  -0.40     0.05   0.01  -0.09     0.03   0.05  -0.13
    20   1    -0.04   0.04   0.47     0.04   0.01   0.01     0.01   0.01   0.10
    21   1    -0.07  -0.15  -0.03     0.13  -0.09  -0.02     0.06  -0.04  -0.01
    22   1    -0.34  -0.03  -0.01    -0.21   0.00   0.05    -0.10   0.00   0.03
    23   1     0.34  -0.16  -0.06     0.10  -0.09   0.03     0.04  -0.04   0.01
    24   1    -0.06   0.02   0.05     0.21   0.03  -0.06     0.18   0.10   0.04
    25   1     0.02  -0.08  -0.02     0.20  -0.02  -0.06    -0.16  -0.13   0.08
    26   1    -0.02   0.01   0.05    -0.21  -0.25  -0.03     0.08  -0.01   0.15
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1101.9875              1126.9741              1167.7442
 Red. masses --      1.6220                 1.5320                 2.1875
 Frc consts  --      1.1605                 1.1464                 1.7575
 IR Inten    --      1.2348                 0.9867                 1.9822
 RamAct Fr= 1--      2.9625                 2.3242                 2.7604
  Dep-P Fr= 1--      0.5410                 0.6001                 0.7434
  Dep-U Fr= 1--      0.7021                 0.7501                 0.8528
 Alpha2 Fr= 1--      0.0119                 0.0065                 0.0003
 Beta2  Fr= 1--      0.3467                 0.2905                 0.3924
 AlphaG Fr= 1--      0.0138                 0.0091                 0.0037
 Gamma2 Fr= 1--     -0.2286                 0.0017                -3.0566
 Delta2 Fr= 1--      0.1343                -0.1895                -1.1536
 Raman1 Fr= 1--      11.850                  9.297                 11.042
 ROA1   Fr= 1--     -17.650                 -5.901               -330.344
 CID1   Fr= 1--      -1.489                 -0.635                -29.918
 Raman2 Fr= 1--       4.160                  3.487                  4.708
 ROA2   Fr= 1--      -6.560                  1.557                -64.129
 CID2   Fr= 1--      -1.577                  0.447                -13.621
 Raman3 Fr= 1--       8.320                  6.973                  9.416
 ROA3   Fr= 1--     -17.650                 -5.901               -330.344
 CID3   Fr= 1--      -2.121                 -0.846                -35.081
 RC180  Fr= 1--       0.404                  0.500                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02   0.07     0.07   0.05  -0.06    -0.09  -0.07   0.03
     2   6    -0.08   0.01  -0.06    -0.03   0.01   0.07     0.04   0.00  -0.02
     3   6    -0.06   0.02  -0.01    -0.05   0.00   0.05     0.04   0.03  -0.04
     4   6    -0.03  -0.05   0.06    -0.04  -0.03  -0.02     0.18   0.02  -0.03
     5   6     0.02   0.05  -0.03     0.02   0.02   0.01    -0.09   0.00   0.02
     6   6    -0.06  -0.04  -0.03    -0.02  -0.05   0.01    -0.00   0.04   0.00
     7   6     0.07   0.01   0.01     0.05   0.02  -0.04    -0.04  -0.04   0.01
     8   6    -0.00  -0.00   0.00     0.02   0.08   0.02     0.03   0.16   0.00
     9   1    -0.11   0.49  -0.27     0.39  -0.10   0.17    -0.44   0.01  -0.17
    10   1     0.31   0.14   0.39    -0.35   0.08  -0.17     0.18   0.11   0.17
    11   1     0.01  -0.08   0.03     0.10   0.02  -0.03    -0.06  -0.08   0.04
    12   1    -0.00  -0.04   0.07    -0.03  -0.01  -0.02    -0.24  -0.16   0.06
    13   1     0.22   0.07  -0.03     0.03  -0.02  -0.04    -0.02  -0.03  -0.02
    14   1     0.29   0.05  -0.10     0.20  -0.08  -0.06     0.05  -0.04  -0.03
    15   1     0.05  -0.04  -0.06     0.33   0.03  -0.08    -0.02  -0.04   0.01
    16   6    -0.01   0.03   0.00    -0.02  -0.06  -0.01    -0.00  -0.08  -0.00
    17   6    -0.01  -0.03  -0.03    -0.02  -0.07  -0.02    -0.01  -0.08   0.01
    18   1    -0.02  -0.07   0.05     0.02   0.12   0.07     0.04   0.19  -0.02
    19   1     0.00  -0.06   0.09     0.05   0.10  -0.22    -0.01   0.15  -0.22
    20   1     0.04  -0.01  -0.16     0.02   0.03   0.22    -0.03   0.02   0.33
    21   1     0.08   0.03   0.01     0.06   0.13   0.03    -0.07   0.18   0.04
    22   1     0.10   0.01   0.03     0.24   0.02   0.04     0.31   0.01  -0.03
    23   1    -0.16   0.05   0.05    -0.25   0.12   0.03    -0.20   0.15  -0.03
    24   1    -0.10   0.09   0.09    -0.16  -0.04   0.01    -0.08   0.08   0.06
    25   1    -0.01  -0.10   0.02    -0.21   0.11   0.07     0.08  -0.04  -0.03
    26   1    -0.12  -0.18   0.06    -0.14  -0.17  -0.02    -0.16  -0.15   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1175.2664              1181.0463              1228.3775
 Red. masses --      1.8258                 2.0225                 1.9037
 Frc consts  --      1.4858                 1.6622                 1.6924
 IR Inten    --      4.6270                 1.4429                 2.3664
 RamAct Fr= 1--      2.2410                 3.5714                 3.5828
  Dep-P Fr= 1--      0.6018                 0.5875                 0.4272
  Dep-U Fr= 1--      0.7514                 0.7402                 0.5987
 Alpha2 Fr= 1--      0.0061                 0.0108                 0.0240
 Beta2  Fr= 1--      0.2806                 0.4406                 0.3575
 AlphaG Fr= 1--     -0.0080                -0.0159                 0.0402
 Gamma2 Fr= 1--      3.5654                -0.1255                -0.7001
 Delta2 Fr= 1--      2.9340                -0.0911                -0.4284
 Raman1 Fr= 1--       8.964                 14.286                 14.331
 ROA1   Fr= 1--     436.165                -14.959                -80.917
 CID1   Fr= 1--      48.657                 -1.047                 -5.646
 Raman2 Fr= 1--       3.368                  5.287                  4.290
 ROA2   Fr= 1--      62.097                 -2.283                -13.376
 CID2   Fr= 1--      18.439                 -0.432                 -3.118
 Raman3 Fr= 1--       6.735                 10.574                  8.580
 ROA3   Fr= 1--     436.165                -14.959                -80.917
 CID3   Fr= 1--      64.758                 -1.415                 -9.431
 RC180  Fr= 1--       0.503                  0.480                  0.197
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.02    -0.06  -0.12  -0.00     0.02   0.06   0.01
     2   6    -0.00   0.07   0.02    -0.05   0.13   0.07    -0.01  -0.07  -0.04
     3   6    -0.03   0.01   0.01     0.05   0.03  -0.03    -0.06  -0.02  -0.01
     4   6     0.17   0.00  -0.05    -0.10  -0.04   0.04    -0.02  -0.00   0.03
     5   6    -0.08   0.01   0.03     0.04   0.03  -0.02     0.01  -0.01  -0.02
     6   6    -0.01   0.01   0.02    -0.03  -0.03   0.02     0.05   0.01   0.03
     7   6     0.00  -0.05  -0.03     0.08  -0.01  -0.05    -0.05   0.03   0.00
     8   6    -0.01  -0.12  -0.05    -0.05   0.01  -0.09     0.20  -0.02  -0.06
     9   1     0.03  -0.06   0.07    -0.29  -0.26  -0.06    -0.25  -0.29   0.03
    10   1    -0.22   0.27  -0.04    -0.26   0.35   0.03    -0.07   0.36   0.20
    11   1    -0.02  -0.07   0.03     0.06   0.00  -0.01    -0.05  -0.02   0.01
    12   1    -0.25  -0.16   0.05     0.08   0.05   0.01     0.08   0.03   0.02
    13   1    -0.02  -0.04  -0.03     0.11   0.03  -0.01     0.02   0.03   0.03
    14   1     0.20  -0.09  -0.09     0.10  -0.05  -0.03    -0.26   0.02   0.09
    15   1     0.29  -0.03  -0.08     0.33   0.01  -0.09     0.39   0.02  -0.12
    16   6     0.01   0.05   0.02     0.05  -0.01   0.04    -0.08   0.01   0.02
    17   6     0.01   0.06   0.03     0.03  -0.02   0.07    -0.07   0.01   0.01
    18   1    -0.03  -0.12  -0.02     0.01   0.01  -0.18    -0.03  -0.05   0.32
    19   1    -0.02  -0.09   0.18    -0.12   0.02   0.16     0.13  -0.08  -0.07
    20   1    -0.02  -0.02  -0.18    -0.14  -0.03   0.08     0.16   0.04  -0.02
    21   1    -0.09  -0.12  -0.02    -0.26   0.05   0.01    -0.10   0.03   0.01
    22   1    -0.23  -0.02  -0.04     0.10  -0.05  -0.14    -0.12   0.01   0.04
    23   1     0.21  -0.10  -0.03     0.14   0.03  -0.12    -0.13   0.03   0.04
    24   1    -0.23   0.06   0.10     0.19   0.02  -0.05     0.04  -0.01  -0.00
    25   1    -0.16   0.04   0.06     0.30  -0.08  -0.09     0.30  -0.12  -0.13
    26   1    -0.31  -0.35  -0.01     0.06   0.12  -0.02    -0.01   0.02  -0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1248.5183              1258.0047              1330.5241
 Red. masses --      1.1761                 1.1570                 1.7353
 Frc consts  --      1.0802                 1.0788                 1.8099
 IR Inten    --      1.0034                 2.8588                 1.2728
 RamAct Fr= 1--      1.3242                 4.1005                 1.0502
  Dep-P Fr= 1--      0.6778                 0.7446                 0.3256
  Dep-U Fr= 1--      0.8080                 0.8536                 0.4912
 Alpha2 Fr= 1--      0.0017                 0.0004                 0.0100
 Beta2  Fr= 1--      0.1783                 0.5834                 0.0860
 AlphaG Fr= 1--     -0.0548                 0.0154                -0.0063
 Gamma2 Fr= 1--      2.2374                -0.7067                -0.0897
 Delta2 Fr= 1--      0.6803                 0.0457                 0.1260
 Raman1 Fr= 1--       5.297                 16.402                  4.201
 ROA1   Fr= 1--     236.559                -66.375                 -4.574
 CID1   Fr= 1--      44.662                 -4.047                 -1.089
 Raman2 Fr= 1--       2.140                  7.000                  1.032
 ROA2   Fr= 1--      48.255                -17.325                 -3.160
 CID2   Fr= 1--      22.552                 -2.475                 -3.063
 Raman3 Fr= 1--       4.280                 14.001                  2.064
 ROA3   Fr= 1--     236.559                -66.375                 -4.574
 CID3   Fr= 1--      55.277                 -4.741                 -2.216
 RC180  Fr= 1--       0.616                  0.707                 -0.018
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.03     0.01  -0.04   0.05     0.03  -0.02  -0.03
     2   6     0.02  -0.00   0.07     0.01   0.01   0.02     0.07  -0.03  -0.03
     3   6    -0.01  -0.00  -0.01    -0.01   0.01  -0.01    -0.08   0.00   0.04
     4   6    -0.00  -0.01   0.03    -0.02   0.01  -0.05    -0.03   0.05   0.03
     5   6     0.00  -0.00  -0.00     0.01  -0.01   0.02     0.01  -0.03  -0.01
     6   6    -0.01   0.02  -0.05     0.00   0.01  -0.01     0.08   0.04  -0.01
     7   6    -0.02   0.00  -0.01    -0.01  -0.00  -0.01    -0.07  -0.01   0.02
     8   6     0.05  -0.02  -0.01     0.05  -0.01   0.01    -0.10  -0.00   0.13
     9   1    -0.09  -0.18   0.02    -0.17  -0.01  -0.05    -0.10   0.12  -0.16
    10   1    -0.14   0.04  -0.04    -0.10   0.16   0.03    -0.27   0.29  -0.13
    11   1     0.00  -0.01  -0.00     0.02   0.05  -0.02    -0.04   0.04  -0.01
    12   1     0.03   0.01   0.01    -0.01   0.02  -0.07     0.09   0.05  -0.00
    13   1     0.01   0.01   0.01    -0.04  -0.04  -0.02    -0.01   0.04   0.06
    14   1     0.62  -0.08  -0.21     0.22  -0.03  -0.08     0.10   0.02  -0.06
    15   1    -0.53   0.07   0.20    -0.12   0.03   0.06     0.17   0.00  -0.02
    16   6    -0.02   0.01   0.00    -0.02   0.00  -0.00     0.02  -0.00  -0.02
    17   6    -0.02   0.00  -0.00    -0.01   0.01  -0.01     0.02   0.00  -0.04
    18   1    -0.01  -0.02   0.08    -0.01  -0.01   0.07     0.01   0.04  -0.17
    19   1     0.04  -0.03  -0.01     0.05  -0.02  -0.05     0.01   0.08  -0.10
    20   1     0.05   0.02  -0.04     0.06   0.01  -0.02    -0.02  -0.03  -0.10
    21   1    -0.02   0.01   0.00    -0.01   0.00  -0.00     0.17  -0.03  -0.00
    22   1    -0.04   0.00   0.02    -0.06   0.00   0.03     0.06   0.04   0.07
    23   1    -0.05   0.01   0.02    -0.05   0.00   0.04     0.04  -0.08   0.04
    24   1    -0.20   0.03   0.06     0.66  -0.10  -0.23     0.26  -0.11  -0.14
    25   1     0.27  -0.07  -0.11    -0.51   0.07   0.19     0.46  -0.11  -0.16
    26   1     0.05   0.02   0.04     0.00  -0.04   0.07    -0.26  -0.36  -0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1342.0938              1367.2680              1382.7179
 Red. masses --      1.6989                 1.5152                 1.8457
 Frc consts  --      1.8029                 1.6689                 2.0791
 IR Inten    --      0.4319                 2.4702                 1.0211
 RamAct Fr= 1--     10.9760                 3.6157                 3.4697
  Dep-P Fr= 1--      0.2719                 0.6428                 0.6734
  Dep-U Fr= 1--      0.4276                 0.7826                 0.8049
 Alpha2 Fr= 1--      0.1222                 0.0070                 0.0047
 Beta2  Fr= 1--      0.7821                 0.4716                 0.4654
 AlphaG Fr= 1--     -0.0059                 0.0031                -0.0112
 Gamma2 Fr= 1--      0.5602                 2.4739                -1.8345
 Delta2 Fr= 1--      0.2838                 1.0611                -1.3110
 Raman1 Fr= 1--      43.904                 14.463                 13.879
 ROA1   Fr= 1--      62.856                271.448               -218.068
 CID1   Fr= 1--       1.432                 18.769                -15.712
 Raman2 Fr= 1--       9.386                  5.659                  5.585
 ROA2   Fr= 1--      11.174                 50.884                -33.540
 CID2   Fr= 1--       1.191                  8.991                 -6.005
 Raman3 Fr= 1--      18.771                 11.318                 11.170
 ROA3   Fr= 1--      62.856                271.448               -218.068
 CID3   Fr= 1--       3.349                 23.983                -19.522
 RC180  Fr= 1--      -0.145                  0.565                  0.610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.04    -0.10  -0.05  -0.01     0.10   0.03  -0.03
     2   6    -0.02   0.05  -0.02     0.01  -0.05  -0.02    -0.09   0.06   0.05
     3   6     0.05  -0.01  -0.02     0.06   0.00  -0.01    -0.12   0.00   0.03
     4   6     0.02  -0.06  -0.02    -0.02   0.03   0.02     0.06   0.02  -0.01
     5   6    -0.00   0.02   0.01     0.01   0.00  -0.00     0.01  -0.00  -0.00
     6   6    -0.05  -0.02   0.02    -0.02  -0.01   0.00    -0.04   0.03   0.02
     7   6     0.04   0.01  -0.00     0.13   0.01  -0.06     0.15  -0.04  -0.05
     8   6     0.00  -0.04   0.20     0.04  -0.02   0.04     0.00   0.00  -0.00
     9   1    -0.51  -0.28  -0.18     0.28   0.23   0.06    -0.21  -0.30  -0.04
    10   1    -0.18   0.15  -0.10    -0.25   0.54   0.13     0.06  -0.33  -0.07
    11   1     0.04  -0.05   0.01    -0.03   0.01   0.01    -0.10  -0.00   0.05
    12   1    -0.06  -0.03   0.02    -0.02  -0.03   0.01    -0.07  -0.07   0.00
    13   1     0.02  -0.03  -0.05    -0.03   0.02   0.02    -0.11   0.00   0.02
    14   1    -0.10   0.07   0.03    -0.36   0.01   0.13    -0.40  -0.02   0.15
    15   1     0.09   0.01  -0.02    -0.41   0.06   0.13    -0.39  -0.03   0.10
    16   6    -0.01   0.01  -0.03    -0.01  -0.00  -0.01     0.00   0.01   0.00
    17   6    -0.01   0.01  -0.06    -0.00   0.01  -0.01    -0.00  -0.02  -0.00
    18   1    -0.02   0.02  -0.13    -0.01   0.02   0.00    -0.01  -0.03  -0.00
    19   1     0.11   0.02  -0.15     0.05  -0.01  -0.05     0.01  -0.01   0.01
    20   1     0.11  -0.00  -0.17     0.06   0.01  -0.02    -0.01   0.00  -0.01
    21   1     0.16  -0.04  -0.01    -0.00   0.01  -0.00    -0.01   0.03   0.00
    22   1     0.02   0.06   0.15    -0.05   0.01   0.06     0.03  -0.00   0.01
    23   1    -0.04  -0.11   0.12    -0.00  -0.03   0.03    -0.05   0.03   0.00
    24   1    -0.27   0.02   0.06    -0.11   0.04   0.06     0.28  -0.09  -0.13
    25   1    -0.17  -0.01   0.07    -0.00   0.07   0.00     0.25  -0.11  -0.09
    26   1     0.24   0.35   0.00    -0.17  -0.18   0.01    -0.22  -0.19   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1400.2852              1411.6491              1415.8255
 Red. masses --      1.7787                 1.3059                 1.2859
 Frc consts  --      2.0549                 1.5333                 1.5187
 IR Inten    --      0.2450                 5.3974                 2.6824
 RamAct Fr= 1--     11.3619                 0.8833                 9.3867
  Dep-P Fr= 1--      0.4551                 0.6868                 0.3843
  Dep-U Fr= 1--      0.6256                 0.8143                 0.5552
 Alpha2 Fr= 1--      0.0682                 0.0010                 0.0735
 Beta2  Fr= 1--      1.1846                 0.1199                 0.8686
 AlphaG Fr= 1--      0.0161                 0.0007                -0.0134
 Gamma2 Fr= 1--     -3.4610                -0.0020                -0.7300
 Delta2 Fr= 1--     -1.6870                -0.0473                -0.6835
 Raman1 Fr= 1--      45.448                  3.533                 37.547
 ROA1   Fr= 1--    -386.237                 -1.707                -91.953
 CID1   Fr= 1--      -8.498                 -0.483                 -2.449
 Raman2 Fr= 1--      14.215                  1.439                 10.423
 ROA2   Fr= 1--     -69.567                  0.331                -12.053
 CID2   Fr= 1--      -4.894                  0.230                 -1.156
 Raman3 Fr= 1--      28.431                  2.877                 20.846
 ROA3   Fr= 1--    -386.237                 -1.707                -91.953
 CID3   Fr= 1--     -13.585                 -0.593                 -4.411
 RC180  Fr= 1--       0.251                  0.629                  0.110
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.01    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     2   6     0.03  -0.06  -0.01    -0.01  -0.00   0.01    -0.01   0.01   0.00
     3   6    -0.13   0.06   0.07     0.00   0.00  -0.01    -0.01   0.01   0.00
     4   6     0.12  -0.11  -0.07    -0.00   0.00   0.00     0.04   0.00  -0.01
     5   6    -0.02   0.03   0.02    -0.01  -0.00   0.00    -0.13  -0.06   0.03
     6   6    -0.08  -0.00   0.02     0.00   0.00  -0.00    -0.01   0.00   0.01
     7   6     0.00   0.03  -0.00     0.00  -0.00  -0.01     0.02  -0.01  -0.01
     8   6    -0.02   0.00  -0.02     0.03   0.00  -0.05     0.01  -0.00   0.01
     9   1     0.30   0.24   0.03     0.03  -0.01   0.04     0.00  -0.01   0.00
    10   1    -0.13   0.23   0.04     0.03  -0.03   0.04     0.01  -0.01   0.00
    11   1     0.06  -0.15   0.05     0.02   0.02  -0.02     0.43   0.20  -0.35
    12   1    -0.08  -0.04   0.02     0.02   0.02  -0.00     0.35   0.38  -0.02
    13   1    -0.01  -0.10  -0.13     0.03   0.01   0.01     0.58   0.08   0.09
    14   1     0.01   0.05  -0.00     0.00  -0.01  -0.00    -0.06  -0.01   0.02
    15   1    -0.03   0.07   0.04    -0.03   0.01   0.01    -0.06  -0.01   0.01
    16   6     0.01  -0.00   0.00    -0.02  -0.01   0.09    -0.00   0.00  -0.00
    17   6    -0.00   0.00   0.01    -0.12   0.02   0.03     0.01  -0.00  -0.00
    18   1     0.01   0.01   0.00    -0.07   0.08  -0.31     0.00   0.01   0.01
    19   1    -0.03   0.02   0.01     0.15   0.14  -0.25     0.00  -0.01   0.01
    20   1    -0.02  -0.01   0.00     0.10  -0.09  -0.30     0.02   0.01   0.00
    21   1     0.03   0.01   0.01     0.42  -0.12   0.11    -0.03   0.01  -0.01
    22   1     0.01  -0.00  -0.02     0.43   0.09  -0.17    -0.03  -0.01   0.02
    23   1     0.05  -0.00  -0.04     0.36  -0.19  -0.23    -0.03   0.01   0.02
    24   1     0.25  -0.08  -0.15     0.01   0.00   0.00    -0.00  -0.03  -0.03
    25   1     0.30  -0.08  -0.07    -0.03  -0.00   0.01     0.01  -0.04   0.01
    26   1     0.38   0.54   0.03    -0.01  -0.02   0.00    -0.02  -0.00   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1425.2300              1457.9565              1475.1998
 Red. masses --      1.3331                 1.9922                 1.0821
 Frc consts  --      1.5955                 2.4950                 1.3874
 IR Inten    --      1.9052                 0.1254                 3.7206
 RamAct Fr= 1--      3.2553                12.5731                 3.7164
  Dep-P Fr= 1--      0.1463                 0.1422                 0.6311
  Dep-U Fr= 1--      0.2552                 0.2490                 0.7738
 Alpha2 Fr= 1--      0.0508                 0.1982                 0.0080
 Beta2  Fr= 1--      0.1385                 0.5218                 0.4793
 AlphaG Fr= 1--      0.0130                 0.0026                 0.0137
 Gamma2 Fr= 1--     -0.1914                 1.1712                -1.2157
 Delta2 Fr= 1--     -0.0913                 0.2822                -1.0059
 Raman1 Fr= 1--      13.021                 50.292                 14.866
 ROA1   Fr= 1--     -21.296                121.462               -148.899
 CID1   Fr= 1--      -1.635                  2.415                -10.016
 Raman2 Fr= 1--       1.662                  6.262                  5.752
 ROA2   Fr= 1--      -3.864                 25.851                -21.131
 CID2   Fr= 1--      -2.325                  4.128                 -3.674
 Raman3 Fr= 1--       3.323                 12.523                 11.503
 ROA3   Fr= 1--     -21.296                121.462               -148.899
 CID3   Fr= 1--      -6.408                  9.699                -12.944
 RC180  Fr= 1--      -0.490                 -0.502                  0.548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.02    -0.11  -0.10  -0.06    -0.00  -0.01  -0.01
     2   6    -0.01   0.04  -0.00    -0.06   0.16  -0.01    -0.01   0.01   0.00
     3   6     0.00   0.01   0.00     0.00   0.05   0.03    -0.03  -0.06  -0.01
     4   6     0.00   0.01   0.00     0.01   0.00   0.00     0.01   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01   0.01   0.00
     6   6    -0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00  -0.01  -0.00
     7   6     0.00  -0.01  -0.00    -0.02  -0.05   0.01    -0.00  -0.02  -0.00
     8   6     0.03  -0.02   0.04     0.12  -0.04   0.07     0.01  -0.00   0.01
     9   1     0.02   0.03  -0.02     0.38   0.15   0.06     0.01   0.00  -0.01
    10   1     0.01  -0.03  -0.03     0.28  -0.30  -0.03     0.02  -0.04  -0.01
    11   1     0.00   0.01  -0.01    -0.02  -0.00   0.01     0.07  -0.14   0.02
    12   1     0.00   0.01  -0.00    -0.03  -0.05   0.03     0.09   0.08   0.03
    13   1     0.01   0.00   0.00    -0.05   0.02   0.03    -0.02  -0.08  -0.09
    14   1     0.02  -0.01  -0.01     0.09   0.12  -0.11    -0.00   0.15  -0.08
    15   1     0.03  -0.02  -0.02     0.24   0.03   0.04     0.06   0.10   0.11
    16   6     0.01   0.02  -0.12    -0.05   0.01   0.02    -0.01  -0.01   0.00
    17   6    -0.09   0.02   0.00    -0.00   0.00  -0.03     0.00   0.01  -0.00
    18   1     0.08  -0.10   0.42    -0.07   0.06  -0.22     0.02   0.17  -0.03
    19   1    -0.14  -0.27   0.35     0.26  -0.15  -0.10    -0.04  -0.03   0.05
    20   1    -0.05   0.15   0.43     0.31   0.06  -0.06     0.17   0.02  -0.04
    21   1     0.32  -0.08   0.07    -0.14   0.04  -0.04    -0.03  -0.07  -0.02
    22   1     0.32   0.11  -0.03    -0.09   0.02   0.16     0.02   0.00  -0.02
    23   1     0.25  -0.21  -0.09    -0.10  -0.04   0.14    -0.04  -0.02   0.07
    24   1     0.02   0.00  -0.01     0.04  -0.11  -0.18     0.28   0.34   0.45
    25   1     0.04   0.01  -0.02     0.21  -0.15   0.01     0.06   0.57  -0.28
    26   1    -0.01  -0.01  -0.00    -0.02  -0.04  -0.01     0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1479.7610              1480.4570              1487.1854
 Red. masses --      1.0494                 1.0857                 1.0477
 Frc consts  --      1.3538                 1.4020                 1.3653
 IR Inten    --      7.4788                 3.3042                 2.7205
 RamAct Fr= 1--      8.1815                26.8653                10.4912
  Dep-P Fr= 1--      0.5384                 0.5167                 0.7000
  Dep-U Fr= 1--      0.6999                 0.6813                 0.8236
 Alpha2 Fr= 1--      0.0334                 0.1225                 0.0091
 Beta2  Fr= 1--      0.9544                 3.0507                 1.4400
 AlphaG Fr= 1--      0.0603                -0.1167                 0.0512
 Gamma2 Fr= 1--      0.6131                 3.7245                -4.3887
 Delta2 Fr= 1--      2.6438                 1.5925                -3.2604
 Raman1 Fr= 1--      32.726                107.461                 41.965
 ROA1   Fr= 1--     143.456                408.510               -525.645
 CID1   Fr= 1--       4.384                  3.801                -12.526
 Raman2 Fr= 1--      11.453                 36.608                 17.280
 ROA2   Fr= 1--      -6.437                 76.648                -79.246
 CID2   Fr= 1--      -0.562                  2.094                 -4.586
 Raman3 Fr= 1--      22.905                 73.216                 34.560
 ROA3   Fr= 1--     143.456                408.510               -525.645
 CID3   Fr= 1--       6.263                  5.580                -15.210
 RC180  Fr= 1--       0.400                  0.363                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.01   0.02   0.01     0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.02   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.01   0.00     0.01   0.01   0.00     0.00  -0.01  -0.00
     4   6    -0.00   0.01  -0.02    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
     5   6    -0.02   0.01  -0.05    -0.00   0.01  -0.02    -0.01   0.01   0.01
     6   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
     7   6    -0.00   0.03   0.01     0.00  -0.06  -0.02    -0.00  -0.02  -0.00
     8   6    -0.00  -0.00   0.00    -0.01   0.00  -0.01    -0.00  -0.01  -0.00
     9   1    -0.00   0.01  -0.00    -0.03  -0.03   0.01    -0.02  -0.01   0.00
    10   1    -0.00   0.00  -0.01    -0.01   0.01   0.02     0.01  -0.01   0.00
    11   1     0.38  -0.19  -0.14     0.16  -0.07  -0.06     0.02  -0.09   0.03
    12   1     0.20  -0.17   0.61     0.07  -0.07   0.24     0.05   0.06  -0.02
    13   1    -0.36   0.20   0.23    -0.13   0.08   0.10     0.00  -0.07  -0.09
    14   1     0.03  -0.21   0.10    -0.08   0.53  -0.25    -0.01   0.14  -0.07
    15   1    -0.06  -0.14  -0.17     0.13   0.37   0.45     0.05   0.09   0.11
    16   6    -0.00   0.01   0.00     0.01  -0.01  -0.01     0.01   0.02   0.00
    17   6    -0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.01  -0.05  -0.01
    18   1    -0.02  -0.06  -0.04     0.05   0.08   0.12    -0.06  -0.28  -0.04
    19   1     0.07  -0.03  -0.02    -0.15   0.09   0.04     0.15  -0.03  -0.09
    20   1    -0.02   0.01   0.03    -0.04  -0.03  -0.06    -0.19  -0.01   0.07
    21   1     0.01   0.05   0.01     0.01  -0.09  -0.01     0.13   0.60   0.12
    22   1    -0.02   0.00   0.04     0.03  -0.01  -0.09    -0.19   0.02   0.38
    23   1     0.02   0.00  -0.03    -0.02   0.01   0.02     0.22   0.07  -0.36
    24   1     0.05   0.01   0.01    -0.09  -0.09  -0.12     0.02   0.04   0.06
    25   1    -0.02   0.05  -0.01    -0.06  -0.14   0.09    -0.01   0.07  -0.03
    26   1     0.02   0.01   0.01    -0.03  -0.03   0.00    -0.02  -0.02  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1493.1326              1493.9769              1509.6957
 Red. masses --      1.0620                 1.0549                 1.0475
 Frc consts  --      1.3951                 1.3873                 1.4067
 IR Inten    --     11.8236                 4.9314                 1.6255
 RamAct Fr= 1--     14.4046                 0.6043                 1.2606
  Dep-P Fr= 1--      0.5037                 0.6905                 0.7302
  Dep-U Fr= 1--      0.6700                 0.8169                 0.8440
 Alpha2 Fr= 1--      0.0699                 0.0006                 0.0004
 Beta2  Fr= 1--      1.6085                 0.0823                 0.1773
 AlphaG Fr= 1--      0.0210                -0.0004                -0.0026
 Gamma2 Fr= 1--      1.0517                 0.2992                 0.6030
 Delta2 Fr= 1--      1.1090                -0.0050                 0.2973
 Raman1 Fr= 1--      57.618                  2.417                  5.042
 ROA1   Fr= 1--     136.447                 28.567                 67.406
 CID1   Fr= 1--       2.368                 11.818                 13.368
 Raman2 Fr= 1--      19.302                  0.987                  2.128
 ROA2   Fr= 1--      16.368                  7.221                 12.095
 CID2   Fr= 1--       0.848                  7.314                  5.684
 Raman3 Fr= 1--      38.603                  1.975                  4.256
 ROA3   Fr= 1--     136.447                 28.567                 67.406
 CID3   Fr= 1--       3.535                 14.467                 15.838
 RC180  Fr= 1--       0.340                  0.634                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.01   0.01   0.00     0.01   0.01   0.00
     2   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
     3   6    -0.02  -0.01   0.00     0.00  -0.00   0.00     0.01   0.01   0.00
     4   6     0.02  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.03  -0.04  -0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.02  -0.03  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
     7   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
     8   6    -0.00  -0.00  -0.00    -0.02   0.00   0.02    -0.01  -0.03  -0.01
     9   1     0.01   0.01  -0.00    -0.05  -0.01  -0.02    -0.02  -0.01   0.00
    10   1    -0.01   0.01   0.00    -0.04   0.04  -0.01     0.01  -0.01  -0.00
    11   1    -0.14   0.56  -0.18    -0.02   0.06  -0.02     0.01  -0.06   0.02
    12   1    -0.28  -0.30  -0.00    -0.03  -0.03  -0.01     0.03   0.02   0.01
    13   1     0.09   0.38   0.44     0.01   0.04   0.05    -0.03  -0.03  -0.03
    14   1     0.02   0.05  -0.03    -0.02   0.04  -0.01     0.00  -0.09   0.05
    15   1     0.04   0.04   0.03     0.01   0.03   0.03    -0.03  -0.06  -0.07
    16   6     0.00  -0.00   0.00    -0.03   0.01  -0.01    -0.01  -0.04  -0.01
    17   6    -0.00  -0.01  -0.01     0.01  -0.01   0.04    -0.00  -0.02  -0.00
    18   1     0.01   0.04   0.03    -0.05   0.06  -0.23     0.13   0.60   0.11
    19   1    -0.04   0.03   0.00     0.20  -0.31   0.12    -0.35   0.07   0.22
    20   1    -0.00  -0.01  -0.04     0.30   0.13   0.20     0.39   0.01  -0.19
    21   1    -0.01   0.13   0.01     0.30  -0.05   0.08     0.05   0.29   0.06
    22   1    -0.01   0.02   0.12    -0.26  -0.18  -0.39    -0.10   0.01   0.20
    23   1     0.06  -0.03  -0.04    -0.11   0.40  -0.31     0.13   0.01  -0.17
    24   1     0.08   0.08   0.10    -0.02  -0.01  -0.01    -0.04  -0.06  -0.08
    25   1     0.03   0.13  -0.07    -0.01  -0.01   0.01    -0.01  -0.09   0.05
    26   1     0.09   0.10  -0.00     0.01   0.01  -0.00    -0.01  -0.02   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1515.6523              1745.6560              2981.6987
 Red. masses --      1.1888                 6.6028                 1.0696
 Frc consts  --      1.6090                11.8549                 5.6027
 IR Inten    --      1.7812                 1.3205                33.3609
 RamAct Fr= 1--      4.8411                62.5489               116.3429
  Dep-P Fr= 1--      0.7496                 0.1414                 0.1693
  Dep-U Fr= 1--      0.8569                 0.2478                 0.2895
 Alpha2 Fr= 1--      0.0000                 0.9881                 1.7121
 Beta2  Fr= 1--      0.6914                 2.5835                 5.6139
 AlphaG Fr= 1--      0.0002                -0.0823                 0.4133
 Gamma2 Fr= 1--     -0.0293                 0.1018                -0.9463
 Delta2 Fr= 1--      0.2150                -0.5512                -2.0882
 Raman1 Fr= 1--      19.365                250.196                465.372
 ROA1   Fr= 1--       4.065                 -7.866               -157.665
 CID1   Fr= 1--       0.210                 -0.031                 -0.339
 Raman2 Fr= 1--       8.297                 31.002                 67.367
 ROA2   Fr= 1--      -2.424                  6.853                 -6.005
 CID2   Fr= 1--      -0.292                  0.221                 -0.089
 Raman3 Fr= 1--      16.594                 62.003                134.735
 ROA3   Fr= 1--       4.065                 -7.866               -157.665
 CID3   Fr= 1--       0.245                 -0.127                 -1.170
 RC180  Fr= 1--       0.714                 -0.504                 -0.421
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.02     0.01   0.02   0.01    -0.00  -0.00   0.00
     2   6    -0.02   0.05  -0.01    -0.00  -0.02  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.01  -0.04  -0.01    -0.00  -0.07   0.03
     4   6     0.00   0.01   0.00     0.13   0.49   0.09     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.03  -0.04  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.01  -0.00    -0.17  -0.45  -0.06     0.00   0.00   0.00
     7   6    -0.00   0.00   0.00     0.02   0.05   0.01     0.00   0.00   0.00
     8   6     0.06  -0.03   0.07    -0.01   0.00  -0.00    -0.00   0.00   0.00
     9   1     0.06   0.02  -0.00    -0.06  -0.04  -0.00     0.01  -0.01  -0.01
    10   1     0.05  -0.04  -0.01    -0.04   0.06   0.02     0.00   0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.10  -0.15   0.10    -0.02  -0.02  -0.04
    12   1     0.00   0.00  -0.00     0.14   0.13  -0.01    -0.02   0.02   0.01
    13   1    -0.00  -0.00  -0.00    -0.15  -0.10  -0.08     0.01  -0.06   0.05
    14   1     0.03  -0.07   0.02     0.16   0.12  -0.10    -0.02  -0.02  -0.05
    15   1     0.02  -0.06  -0.07     0.19   0.09   0.03     0.00  -0.00   0.01
    16   6     0.03  -0.01  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   6    -0.01  -0.00   0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.07  -0.06   0.34     0.00   0.01  -0.03    -0.01   0.00   0.00
    19   1    -0.26   0.38  -0.15     0.01  -0.01  -0.00     0.01   0.01   0.01
    20   1    -0.34  -0.16  -0.28     0.02   0.00  -0.00     0.01  -0.03   0.01
    21   1     0.26  -0.06   0.06     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.23  -0.13  -0.29    -0.00  -0.00  -0.00     0.00  -0.01   0.00
    23   1    -0.12   0.31  -0.21    -0.00   0.00  -0.00     0.01   0.01   0.01
    24   1     0.05   0.03   0.03     0.10  -0.13  -0.17    -0.07   0.76  -0.59
    25   1     0.05   0.06  -0.04     0.14  -0.17  -0.01     0.09   0.06   0.20
    26   1     0.00  -0.00  -0.00     0.38   0.13  -0.09    -0.01   0.01   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2985.7488              3009.4964              3012.4267
 Red. masses --      1.0708                 1.0586                 1.0731
 Frc consts  --      5.6242                 5.6490                 5.7377
 IR Inten    --     45.6335                20.4863                50.1091
 RamAct Fr= 1--    158.9752               117.8490               266.0544
  Dep-P Fr= 1--      0.1785                 0.2205                 0.0545
  Dep-U Fr= 1--      0.3030                 0.3613                 0.1034
 Alpha2 Fr= 1--      2.2841                 1.5149                 5.1991
 Beta2  Fr= 1--      8.0276                 7.0968                 4.5847
 AlphaG Fr= 1--     -0.5388                -0.3103                -0.1545
 Gamma2 Fr= 1--      3.3727               -28.6555                32.7160
 Delta2 Fr= 1--      1.8634               -15.6046                13.3318
 Raman1 Fr= 1--     635.901                471.396               1064.218
 ROA1   Fr= 1--     383.407              -3250.279               3567.352
 CID1   Fr= 1--       0.603                 -6.895                  3.352
 Raman2 Fr= 1--      96.331                 85.161                 55.016
 ROA2   Fr= 1--      66.038               -562.896                678.529
 CID2   Fr= 1--       0.686                 -6.610                 12.333
 Raman3 Fr= 1--     192.661                170.323                110.033
 ROA3   Fr= 1--     383.407              -3250.279               3567.352
 CID3   Fr= 1--       1.990                -19.083                 32.421
 RC180  Fr= 1--      -0.394                 -0.277                 -0.793
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.02  -0.00  -0.05    -0.02  -0.01  -0.05
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6     0.00   0.00  -0.00     0.03   0.03  -0.00    -0.02  -0.02   0.00
     6   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.02  -0.05  -0.06     0.00  -0.00   0.00    -0.01   0.03  -0.03
     8   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     9   1     0.00  -0.00   0.00     0.02  -0.01  -0.03     0.02  -0.02  -0.04
    10   1    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.02   0.02  -0.02
    11   1    -0.00  -0.00  -0.00    -0.21  -0.18  -0.44     0.13   0.11   0.26
    12   1    -0.00   0.00   0.00    -0.17   0.20   0.11     0.11  -0.14  -0.07
    13   1     0.00  -0.00   0.00     0.05  -0.38   0.34    -0.03   0.27  -0.24
    14   1     0.32   0.39   0.83    -0.00  -0.00  -0.01     0.03   0.05   0.08
    15   1    -0.04   0.14  -0.15    -0.00   0.01  -0.01     0.07  -0.39   0.33
    16   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    17   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    18   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    19   1    -0.01  -0.02  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.01   0.01  -0.05
    22   1    -0.00   0.01  -0.00    -0.00   0.02  -0.00     0.02  -0.07   0.02
    23   1    -0.01  -0.01  -0.01    -0.01  -0.01  -0.01     0.04   0.05   0.04
    24   1    -0.00   0.04  -0.03     0.01  -0.17   0.11     0.00  -0.08   0.05
    25   1     0.01   0.01   0.02     0.22   0.20   0.49     0.25   0.23   0.56
    26   1     0.02  -0.02  -0.01     0.00  -0.00  -0.00    -0.02   0.02   0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3012.8856              3013.2011              3022.9358
 Red. masses --      1.0820                 1.0364                 1.0401
 Frc consts  --      5.7868                 5.5439                 5.6000
 IR Inten    --     39.2365                31.6122                55.7352
 RamAct Fr= 1--    121.3639               174.2601               327.2470
  Dep-P Fr= 1--      0.7458                 0.0304                 0.0318
  Dep-U Fr= 1--      0.8544                 0.0591                 0.0616
 Alpha2 Fr= 1--      0.0087                 3.6055                 6.7492
 Beta2  Fr= 1--     17.2818                 1.7158                 3.3620
 AlphaG Fr= 1--      0.0540                 0.2225                -0.4775
 Gamma2 Fr= 1--    -13.6026                 2.5905                 2.7930
 Delta2 Fr= 1--      0.8422                -0.5585                -1.7936
 Raman1 Fr= 1--     485.456                697.041               1308.988
 ROA1   Fr= 1--   -1278.896                230.813                210.730
 CID1   Fr= 1--      -2.634                  0.331                  0.161
 Raman2 Fr= 1--     207.381                 20.589                 40.344
 ROA2   Fr= 1--    -333.200                 66.639                 81.380
 CID2   Fr= 1--      -1.607                  3.237                  2.017
 Raman3 Fr= 1--     414.762                 41.179                 80.689
 ROA3   Fr= 1--   -1278.896                230.813                210.730
 CID3   Fr= 1--      -3.083                  5.605                  2.612
 RC180  Fr= 1--       0.709                 -0.882                 -0.877
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.01  -0.01  -0.03    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.02  -0.05   0.05     0.00   0.00   0.00     0.00   0.00   0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1     0.01  -0.01  -0.02     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    10   1    -0.03  -0.03   0.04     0.01   0.00  -0.01     0.01   0.00  -0.01
    11   1     0.08   0.07   0.17     0.03   0.02   0.05     0.01   0.01   0.02
    12   1     0.08  -0.09  -0.05     0.02  -0.03  -0.01     0.01  -0.01  -0.00
    13   1    -0.02   0.18  -0.16    -0.01   0.05  -0.05    -0.00   0.02  -0.01
    14   1    -0.05  -0.09  -0.13    -0.00  -0.00  -0.01    -0.01  -0.01  -0.03
    15   1    -0.12   0.62  -0.52    -0.00   0.00  -0.00     0.00  -0.01   0.01
    16   6     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.01  -0.01   0.05
    17   6    -0.00   0.00  -0.00     0.05  -0.01   0.00     0.01  -0.00  -0.00
    18   1     0.00  -0.00  -0.00    -0.08   0.02   0.01     0.29  -0.06  -0.04
    19   1    -0.00  -0.00  -0.00     0.09   0.11   0.10    -0.34  -0.40  -0.37
    20   1    -0.00   0.01  -0.00     0.04  -0.17   0.04    -0.13   0.62  -0.17
    21   1     0.01   0.01  -0.03    -0.08  -0.07   0.41    -0.03  -0.02   0.12
    22   1     0.01  -0.05   0.01    -0.13   0.57  -0.14    -0.04   0.15  -0.04
    23   1     0.03   0.03   0.03    -0.34  -0.37  -0.33    -0.09  -0.10  -0.09
    24   1     0.00  -0.05   0.03    -0.00  -0.00  -0.00    -0.00   0.03  -0.02
    25   1     0.15   0.14   0.34     0.04   0.03   0.08     0.01   0.01   0.02
    26   1     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3048.6008              3063.1122              3066.4866
 Red. masses --      1.0990                 1.1013                 1.1004
 Frc consts  --      6.0181                 6.0881                 6.0965
 IR Inten    --     24.4214                 2.9524                54.7111
 RamAct Fr= 1--    109.0369                20.5800               161.7285
  Dep-P Fr= 1--      0.7410                 0.7500                 0.7493
  Dep-U Fr= 1--      0.8512                 0.8571                 0.8567
 Alpha2 Fr= 1--      0.0167                 0.0000                 0.0020
 Beta2  Fr= 1--     15.4695                 2.9399                23.0909
 AlphaG Fr= 1--      0.2261                 0.0006                 0.0401
 Gamma2 Fr= 1--      2.9766                 0.4464                 0.6233
 Delta2 Fr= 1--      5.8729                -0.0405                 3.3890
 Raman1 Fr= 1--     436.148                 82.320                646.914
 ROA1   Fr= 1--     473.690                 41.557                168.284
 CID1   Fr= 1--       1.086                  0.505                  0.260
 Raman2 Fr= 1--     185.634                 35.279                277.091
 ROA2   Fr= 1--      24.456                 11.037                -12.153
 CID2   Fr= 1--       0.132                  0.313                 -0.044
 Raman3 Fr= 1--     371.269                 70.558                554.182
 ROA3   Fr= 1--     473.690                 41.557                168.284
 CID3   Fr= 1--       1.276                  0.589                  0.304
 RC180  Fr= 1--       0.702                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.03   0.02  -0.08    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   1     0.30   0.28   0.59     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   1     0.00  -0.01  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   1     0.05  -0.53   0.44     0.00  -0.00   0.00    -0.00   0.01  -0.00
    14   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.01
    15   1    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6     0.00  -0.00  -0.00     0.01   0.05   0.01    -0.02  -0.07  -0.01
    17   6    -0.00   0.00   0.00    -0.02  -0.07  -0.01    -0.01  -0.05  -0.01
    18   1    -0.00   0.00   0.00     0.00   0.01   0.00    -0.01  -0.02  -0.00
    19   1     0.00   0.00   0.00    -0.22  -0.24  -0.24     0.32   0.35   0.34
    20   1    -0.00   0.01  -0.00     0.09  -0.37   0.11    -0.12   0.54  -0.16
    21   1     0.00   0.00  -0.00    -0.00  -0.02  -0.01    -0.00  -0.01  -0.01
    22   1     0.00  -0.00   0.00    -0.14   0.54  -0.14    -0.10   0.38  -0.10
    23   1    -0.00  -0.00  -0.00     0.34   0.35   0.32     0.23   0.24   0.22
    24   1     0.00  -0.02   0.01     0.00  -0.01   0.00     0.00   0.01  -0.00
    25   1     0.01   0.01   0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3086.8091              3102.0605              3123.8813
 Red. masses --      1.1002                 1.0985                 1.0953
 Frc consts  --      6.1762                 6.2278                 6.2978
 IR Inten    --     27.3454                20.2287                 8.9841
 RamAct Fr= 1--     57.8205                62.8200                49.3508
  Dep-P Fr= 1--      0.7445                 0.7146                 0.4967
  Dep-U Fr= 1--      0.8536                 0.8336                 0.6637
 Alpha2 Fr= 1--      0.0054                 0.0384                 0.2475
 Beta2  Fr= 1--      8.2256                 8.7273                 5.4589
 AlphaG Fr= 1--      0.0067                -0.0738                -0.3154
 Gamma2 Fr= 1--      0.9498                -2.4876                -4.5639
 Delta2 Fr= 1--     -0.4453                -1.6625                 0.0860
 Raman1 Fr= 1--     231.282                251.280                197.403
 ROA1   Fr= 1--      76.930               -292.014               -435.388
 CID1   Fr= 1--       0.333                 -1.162                 -2.206
 Raman2 Fr= 1--      98.707                104.728                 65.507
 ROA2   Fr= 1--      26.357                -46.403               -110.222
 CID2   Fr= 1--       0.267                 -0.443                 -1.683
 Raman3 Fr= 1--     197.415                209.455                131.014
 ROA3   Fr= 1--      76.930               -292.014               -435.388
 CID3   Fr= 1--       0.390                 -1.394                 -3.323
 RC180  Fr= 1--       0.707                  0.667                  0.327
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.04  -0.07  -0.03    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.01   0.01   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.02  -0.02  -0.04     0.00   0.00   0.00    -0.01   0.01   0.02
    10   1     0.03   0.02  -0.03     0.00   0.00  -0.00    -0.01  -0.01   0.01
    11   1    -0.00  -0.00  -0.00     0.12   0.08   0.21     0.00   0.00   0.00
    12   1     0.00  -0.00  -0.00    -0.57   0.64   0.36     0.00  -0.00  -0.00
    13   1     0.00  -0.00   0.00    -0.01   0.17  -0.17     0.00  -0.00   0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.09   0.02   0.00
    17   6    -0.00   0.02  -0.09    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.01   0.00   0.00     0.00  -0.00  -0.00     0.92  -0.17  -0.16
    19   1     0.00   0.01   0.01     0.00   0.00   0.00     0.10   0.14   0.12
    20   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.03  -0.20   0.06
    21   1    -0.19  -0.13   0.86    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    22   1     0.07  -0.29   0.05    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23   1     0.18   0.20   0.15     0.00   0.00   0.00     0.00   0.00   0.00
    24   1     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.00   0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.07  -0.05  -0.04    -0.00   0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3128.9838              3131.2260              3139.7834
 Red. masses --      1.0874                 1.0884                 1.0892
 Frc consts  --      6.2727                 6.2876                 6.3263
 IR Inten    --     13.6069                39.7202                34.6221
 RamAct Fr= 1--     79.4746               133.6206               215.8013
  Dep-P Fr= 1--      0.7263                 0.2819                 0.0871
  Dep-U Fr= 1--      0.8414                 0.4398                 0.1602
 Alpha2 Fr= 1--      0.0324                 1.4457                 3.8992
 Beta2  Fr= 1--     11.1454                 9.7951                 5.7623
 AlphaG Fr= 1--     -0.0623                -0.0040                -0.1031
 Gamma2 Fr= 1--     -2.3083                -3.0086                -0.4248
 Delta2 Fr= 1--      0.3517                -1.0352                 0.5270
 Raman1 Fr= 1--     317.898                534.482                863.205
 ROA1   Fr= 1--    -210.343               -321.956                -23.914
 CID1   Fr= 1--      -0.662                 -0.602                 -0.028
 Raman2 Fr= 1--     133.745                117.541                 69.148
 ROA2   Fr= 1--     -58.213                -63.925                -14.410
 CID2   Fr= 1--      -0.435                 -0.544                 -0.208
 Raman3 Fr= 1--     267.490                235.082                138.296
 ROA3   Fr= 1--    -210.343               -321.956                -23.914
 CID3   Fr= 1--      -0.786                 -1.370                 -0.173
 RC180  Fr= 1--       0.683                 -0.120                 -0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.05    -0.00   0.00   0.01     0.02  -0.02  -0.05
     2   6    -0.04  -0.02   0.04     0.00  -0.00   0.00     0.04   0.03  -0.04
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.06   0.05   0.03    -0.01   0.00   0.00
     7   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   1    -0.31   0.27   0.60     0.05  -0.05  -0.10    -0.28   0.25   0.55
    10   1     0.40   0.30  -0.44     0.01   0.01  -0.01    -0.44  -0.33   0.48
    11   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
    12   1     0.01  -0.01  -0.00     0.06  -0.06  -0.04     0.01  -0.01  -0.00
    13   1     0.00  -0.00   0.00     0.00  -0.01   0.01     0.00   0.00  -0.00
    14   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00
    15   1    -0.01   0.03  -0.03     0.00  -0.02   0.02     0.01  -0.04   0.03
    16   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    18   1    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.02   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01  -0.01  -0.01
    20   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    21   1    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.02  -0.01   0.07
    22   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    23   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    24   1     0.00  -0.00  -0.00    -0.00   0.01  -0.00     0.00   0.00  -0.00
    25   1     0.02   0.02   0.04    -0.00   0.00   0.00     0.02   0.02   0.04
    26   1     0.06  -0.05  -0.03     0.69  -0.58  -0.39     0.07  -0.05  -0.04

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   729.946551882.076572052.97649
           X            0.99998   0.00587  -0.00278
           Y           -0.00585   0.99997   0.00509
           Z            0.00281  -0.00508   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11866     0.04602     0.04219
 Rotational constants (GHZ):           2.47243     0.95891     0.87909
 Zero-point vibrational energy     616314.3 (Joules/Mol)
                                  147.30266 (Kcal/Mol)
 Warning -- explicit consideration of  15 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    114.99   228.09   259.90   271.90   296.33
          (Kelvin)            339.93   362.05   389.54   488.01   506.03
                              587.84   619.33   669.46   733.39   835.10
                              987.74  1042.17  1111.25  1159.04  1202.58
                             1320.48  1348.80  1371.81  1384.64  1403.45
                             1433.35  1463.24  1488.69  1519.99  1546.12
                             1585.51  1621.46  1680.12  1690.95  1699.26
                             1767.36  1796.34  1809.99  1914.33  1930.97
                             1967.19  1989.42  2014.70  2031.05  2037.06
                             2050.59  2097.67  2122.48  2129.05  2130.05
                             2139.73  2148.28  2149.50  2172.12  2180.69
                             2511.61  4290.00  4295.83  4329.99  4334.21
                             4334.87  4335.32  4349.33  4386.26  4407.14
                             4411.99  4441.23  4463.17  4494.57  4501.91
                             4505.14  4517.45
 
 Zero-point correction=                           0.234742 (Hartree/Particle)
 Thermal correction to Energy=                    0.245197
 Thermal correction to Enthalpy=                  0.246141
 Thermal correction to Gibbs Free Energy=         0.199977
 Sum of electronic and zero-point Energies=           -390.621104
 Sum of electronic and thermal Energies=              -390.610648
 Sum of electronic and thermal Enthalpies=            -390.609704
 Sum of electronic and thermal Free Energies=         -390.655869
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  153.863             41.122             97.161
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.424
 Vibrational            152.086             35.161             27.100
 Vibration     1          0.600              1.963              3.893
 Vibration     2          0.621              1.893              2.567
 Vibration     3          0.630              1.866              2.322
 Vibration     4          0.633              1.855              2.238
 Vibration     5          0.640              1.831              2.079
 Vibration     6          0.655              1.785              1.831
 Vibration     7          0.664              1.760              1.719
 Vibration     8          0.674              1.727              1.591
 Vibration     9          0.719              1.597              1.216
 Vibration    10          0.728              1.572              1.159
 Vibration    11          0.773              1.452              0.932
 Vibration    12          0.792              1.404              0.857
 Vibration    13          0.823              1.327              0.751
 Vibration    14          0.865              1.228              0.634
 Vibration    15          0.937              1.074              0.485
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.104030D-91        -91.982843       -211.798323
 Total V=0       0.978961D+16         15.990765         36.820098
 Vib (Bot)       0.277200-105       -105.557207       -243.054450
 Vib (Bot)    1  0.257678D+01          0.411078          0.946541
 Vib (Bot)    2  0.127580D+01          0.105783          0.243573
 Vib (Bot)    3  0.111162D+01          0.045956          0.105818
 Vib (Bot)    4  0.105944D+01          0.025077          0.057741
 Vib (Bot)    5  0.965881D+00         -0.015076         -0.034715
 Vib (Bot)    6  0.831318D+00         -0.080233         -0.184743
 Vib (Bot)    7  0.775000D+00         -0.110698         -0.254892
 Vib (Bot)    8  0.713537D+00         -0.146584         -0.337521
 Vib (Bot)    9  0.547723D+00         -0.261439         -0.601986
 Vib (Bot)   10  0.523995D+00         -0.280673         -0.646274
 Vib (Bot)   11  0.433492D+00         -0.363019         -0.835882
 Vib (Bot)   12  0.404629D+00         -0.392942         -0.904784
 Vib (Bot)   13  0.363940D+00         -0.438970         -1.010765
 Vib (Bot)   14  0.319632D+00         -0.495350         -1.140585
 Vib (Bot)   15  0.262422D+00         -0.581000         -1.337801
 Vib (V=0)       0.260857D+03          2.416402          5.563971
 Vib (V=0)    1  0.312484D+01          0.494828          1.139384
 Vib (V=0)    2  0.187028D+01          0.271906          0.626088
 Vib (V=0)    3  0.171889D+01          0.235249          0.541680
 Vib (V=0)    4  0.167150D+01          0.223107          0.513722
 Vib (V=0)    5  0.158762D+01          0.200748          0.462238
 Vib (V=0)    6  0.147010D+01          0.167346          0.385329
 Vib (V=0)    7  0.142229D+01          0.152989          0.352271
 Vib (V=0)    8  0.137128D+01          0.137127          0.315747
 Vib (V=0)    9  0.124162D+01          0.093989          0.216417
 Vib (V=0)   10  0.122427D+01          0.087878          0.202347
 Vib (V=0)   11  0.116175D+01          0.065113          0.149929
 Vib (V=0)   12  0.114321D+01          0.058128          0.133844
 Vib (V=0)   13  0.111843D+01          0.048608          0.111924
 Vib (V=0)   14  0.109343D+01          0.038793          0.089324
 Vib (V=0)   15  0.106468D+01          0.027220          0.062676
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.601176D+06          5.779002         13.306643
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000030910   -0.000011240   -0.000011087
      2        6           0.000026123    0.000031548   -0.000007283
      3        6          -0.000043802   -0.000016513   -0.000008809
      4        6           0.000030745   -0.000002616   -0.000002870
      5        6          -0.000005679    0.000005282    0.000006595
      6        6           0.000039985   -0.000031202   -0.000006235
      7        6          -0.000057269    0.000009743    0.000024479
      8        6          -0.000030251   -0.000021457    0.000021218
      9        1           0.000000907   -0.000003845    0.000009464
     10        1          -0.000001767    0.000002662   -0.000000311
     11        1           0.000000926    0.000001602    0.000000177
     12        1           0.000003583    0.000004872    0.000000274
     13        1          -0.000003488    0.000000214    0.000001724
     14        1          -0.000004426    0.000008444    0.000000925
     15        1           0.000002650    0.000002313    0.000002318
     16        6          -0.000010561    0.000000625    0.000010479
     17        6           0.000002051    0.000001205   -0.000006925
     18        1           0.000008182    0.000007271   -0.000030342
     19        1           0.000000360   -0.000002609   -0.000000112
     20        1          -0.000000253    0.000004364   -0.000002198
     21        1          -0.000003137    0.000003685   -0.000004991
     22        1           0.000016345   -0.000002182    0.000003126
     23        1           0.000003026    0.000001053   -0.000001470
     24        1          -0.000003852    0.000000975    0.000001566
     25        1          -0.000004044    0.000005061    0.000001567
     26        1           0.000002733    0.000000746   -0.000001279
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000057269 RMS     0.000014641
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131577D+03  0.446147D+01  0.494558D+00
      2   0.446147D+01  0.120411D+03  0.247262D+01
      3   0.494558D+00  0.247262D+01  0.100763D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.119735D+01  0.877769D-01  0.344388D+01
      2   0.934923D+01 -0.824622D+01  0.105720D+02
      3   0.191480D+02  0.294078D+02  0.660937D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.205307D+02 -0.515668D+02  0.810558D+01
      2   0.118783D+01  0.502785D+02 -0.128339D+02
      3   0.193429D+02  0.128832D+01  0.472827D+01
      4  -0.454515D+02 -0.490185D+02 -0.222484D+02
      5   0.225118D+02 -0.200594D+02  0.342094D+02
      6  -0.104948D+02  0.519826D+01 -0.206692D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.303253D+01 -0.691500D+00 -0.193986D+01  0.182517D+00 -0.210096D+01
      2  -0.691500D+00 -0.467905D+00 -0.138533D+01 -0.210096D+01 -0.460560D+01
      3  -0.193986D+01 -0.138533D+01 -0.437095D+01 -0.425793D-01 -0.133583D+00
                 6             7             8             9            10 
      1  -0.425793D-01 -0.385949D+01 -0.253950D+01 -0.429873D+01 -0.239278D+01
      2  -0.133583D+00 -0.253950D+01  0.195844D+01  0.100251D+01  0.133056D+01
      3   0.160940D+01 -0.429873D+01  0.100251D+01  0.257154D+00 -0.354326D-01
                11            12            13            14            15 
      1   0.133056D+01 -0.354326D-01  0.513735D+00 -0.203984D+01  0.127214D+01
      2  -0.132627D+01  0.316726D+01 -0.203984D+01  0.562539D+01  0.578844D+00
      3   0.316726D+01 -0.278390D+01  0.127214D+01  0.578844D+00  0.431865D+00
                16            17            18            19            20 
      1  -0.372707D+00  0.486533D+01 -0.233193D+01  0.812111D-01 -0.935536D+00
      2   0.486533D+01  0.665134D+00  0.117019D+01 -0.935536D+00 -0.101928D+01
      3  -0.233193D+01  0.117019D+01  0.924491D-01  0.560691D+00  0.131316D+01
                21            22            23            24            25 
      1   0.560691D+00 -0.111249D+01  0.306516D+00  0.104536D+01  0.974544D+00
      2   0.131316D+01  0.306516D+00  0.998416D+01 -0.202359D+00  0.976447D+00
      3   0.170478D+01  0.104536D+01 -0.202359D+00  0.254640D+01  0.307474D+01
                26            27            28            29            30 
      1   0.976447D+00  0.307474D+01 -0.549729D+01 -0.306965D+01 -0.359232D+00
      2  -0.858965D+00  0.502075D+01 -0.306965D+01 -0.336094D+01 -0.871320D+00
      3   0.502075D+01  0.376849D+01 -0.359232D+00 -0.871320D+00 -0.109420D+01
                31            32            33            34            35 
      1  -0.425457D+01 -0.631779D+01 -0.189705D+01 -0.960141D+00 -0.163392D+01
      2  -0.631779D+01 -0.178329D+02 -0.836591D+00 -0.163392D+01 -0.158637D+01
      3  -0.189705D+01 -0.836591D+00 -0.332400D+01 -0.259110D+01 -0.316465D+01
                36            37            38            39            40 
      1  -0.259110D+01  0.366996D+01  0.923041D+00  0.887329D+00  0.346549D-01
      2  -0.316465D+01  0.923041D+00  0.428996D+01  0.267131D+01  0.640409D+01
      3  -0.164931D+01  0.887329D+00  0.267131D+01  0.202890D+01  0.217383D+01
                41            42            43            44            45 
      1   0.640409D+01  0.217383D+01  0.133961D+01  0.249287D+01  0.431001D+01
      2   0.532162D+01 -0.305015D+01  0.249287D+01 -0.330271D+01  0.435491D+01
      3  -0.305015D+01  0.253968D+01  0.431001D+01  0.435491D+01  0.131707D+01
                46            47            48            49            50 
      1   0.570257D+01  0.213789D+01 -0.496621D+00  0.398666D+01  0.733570D+01
      2   0.213789D+01  0.700897D+01  0.269566D+01  0.733570D+01  0.147887D+02
      3  -0.496621D+00  0.269566D+01  0.160794D+01  0.238840D+01 -0.650356D+00
                51            52            53            54            55 
      1   0.238840D+01  0.161305D+00  0.330034D+01  0.190857D+01 -0.162040D+01
      2  -0.650356D+00  0.330034D+01 -0.128685D+01  0.353290D+01 -0.173834D+01
      3   0.251954D+01  0.190857D+01  0.353290D+01  0.192184D+01 -0.603957D+00
                56            57            58            59            60 
      1  -0.173834D+01 -0.603957D+00 -0.190925D+01 -0.383396D+01 -0.159111D+01
      2  -0.370354D+01 -0.238117D+01 -0.383396D+01 -0.934433D+01  0.125437D+01
      3  -0.238117D+01 -0.821242D+00 -0.159111D+01  0.125437D+01 -0.292664D+01
                61            62            63            64            65 
      1  -0.649040D+00 -0.220292D+01 -0.126914D+01  0.336495D+01  0.128761D-01
      2  -0.220292D+01  0.140212D+01 -0.595310D+01  0.128761D-01  0.128934D+01
      3  -0.126914D+01 -0.595310D+01 -0.175905D+01  0.393226D+01 -0.684765D+00
                66            67            68            69            70 
      1   0.393226D+01  0.751124D-01  0.529383D+01 -0.696285D-01  0.685208D+01
      2  -0.684765D+00  0.529383D+01 -0.413616D+01  0.266152D+01 -0.810206D+00
      3   0.425480D+01 -0.696285D-01  0.266152D+01  0.222275D+00  0.490366D+01
                71            72            73            74            75 
      1  -0.810206D+00  0.490366D+01  0.183729D+01 -0.132866D+01 -0.148034D+01
      2   0.195128D+01  0.666473D-01 -0.132866D+01  0.871039D+00  0.934688D+00
      3   0.666473D-01 -0.156541D+00 -0.148034D+01  0.934688D+00  0.258039D+01
                76            77            78            79            80 
      1  -0.128665D+01  0.530875D+00  0.544052D+00 -0.189260D+01  0.985818D+00
      2   0.530875D+00 -0.167163D+01 -0.207637D+01  0.985818D+00 -0.220324D+01
      3   0.544052D+00 -0.207637D+01 -0.275450D+01  0.209969D+01 -0.285683D+01
                81            82            83            84            85 
      1   0.209969D+01  0.364814D+01  0.179501D+01 -0.183873D+01  0.162834D+01
      2  -0.285683D+01  0.179501D+01  0.187974D+01 -0.179441D+01  0.130998D+01
      3  -0.633131D+01 -0.183873D+01 -0.179441D+01  0.243376D+01 -0.133345D+01
                86            87            88            89            90 
      1   0.130998D+01 -0.133345D+01 -0.245605D+01 -0.178858D+01  0.220845D+01
      2   0.330736D+01 -0.205562D+01 -0.178858D+01 -0.219724D+01  0.213839D+01
      3  -0.205562D+01  0.175781D+01  0.220845D+01  0.213839D+01 -0.337107D+01
                91            92            93            94            95 
      1  -0.464420D+01 -0.196525D+01 -0.221907D+01 -0.267595D+01 -0.301975D+01
      2  -0.196525D+01 -0.147614D+01 -0.120013D+01 -0.301975D+01 -0.311707D+01
      3  -0.221907D+01 -0.120013D+01 -0.181949D+01 -0.118210D+01 -0.112392D+01
                96            97            98            99           100 
      1  -0.118210D+01 -0.534222D+01 -0.286274D+01 -0.340908D+01 -0.587106D+01
      2  -0.112392D+01 -0.286274D+01 -0.225108D+01 -0.275428D+01  0.191727D+01
      3  -0.168297D+01 -0.340908D+01 -0.275428D+01 -0.440735D+01  0.154432D+01
               101           102           103           104           105 
      1   0.191727D+01  0.154432D+01  0.485193D+01 -0.204355D+01 -0.145015D+01
      2  -0.129106D+01 -0.686518D+00 -0.204355D+01  0.191604D+01  0.967113D+00
      3  -0.686518D+00 -0.130792D+01 -0.145015D+01  0.967113D+00  0.102119D+01
               106           107           108           109           110 
      1   0.243468D+01 -0.861974D+00 -0.198035D+01 -0.474527D+00 -0.825236D+00
      2  -0.861974D+00  0.921993D+00  0.403965D+00 -0.825236D+00  0.294353D-01
      3  -0.198035D+01  0.403965D+00  0.136530D+01  0.448892D+00 -0.281731D+00
               111           112           113           114           115 
      1   0.448892D+00 -0.316055D+01 -0.322845D+01  0.888489D+00  0.187587D+01
      2  -0.281731D+00 -0.322845D+01 -0.697232D+01  0.320072D+01  0.116106D+01
      3  -0.228596D+00  0.888489D+00  0.320072D+01 -0.250058D+01 -0.188200D+01
               116           117           118           119           120 
      1   0.116106D+01 -0.188200D+01  0.183279D+01  0.142542D+01  0.129566D+01
      2   0.380449D+01 -0.335091D+01  0.142542D+01  0.194796D+01  0.131340D+01
      3  -0.335091D+01  0.295048D+01  0.129566D+01  0.131340D+01  0.114192D+01
               121           122           123           124           125 
      1   0.145040D+01  0.186612D+01  0.702063D+00  0.268913D+01  0.157266D+01
      2   0.186612D+01  0.609234D+01  0.225201D+01  0.157266D+01  0.482435D+01
      3   0.702063D+00  0.225201D+01  0.197494D+01  0.138532D+01  0.434994D+01
               126           127           128           129           130 
      1   0.138532D+01 -0.318540D+00  0.119682D+01 -0.670988D+00  0.190554D+01
      2   0.434994D+01  0.119682D+01 -0.962826D+00  0.674151D+00  0.783583D+00
      3   0.438918D+01 -0.670988D+00  0.674151D+00 -0.126733D+00  0.137003D+00
               131           132           133           134           135 
      1   0.783583D+00  0.137003D+00 -0.149144D+01  0.240633D+00  0.297011D+00
      2   0.106213D+02 -0.346998D+01  0.240633D+00 -0.530839D+01  0.389662D+01
      3  -0.346998D+01  0.212948D+01  0.297011D+00  0.389662D+01 -0.238677D+01
               136           137           138           139           140 
      1   0.555818D+01 -0.196998D+01 -0.240918D+01 -0.235089D+01 -0.302270D+01
      2  -0.196998D+01 -0.179165D+01 -0.742009D+00 -0.302270D+01  0.473297D+01
      3  -0.240918D+01 -0.742009D+00 -0.291922D+01 -0.826087D+00 -0.478210D+01
               141           142           143           144           145 
      1  -0.826087D+00 -0.311907D+01 -0.405202D+00 -0.339676D+01 -0.837119D+00
      2  -0.478210D+01 -0.405202D+00 -0.331686D+01 -0.121149D+01 -0.155236D+01
      3  -0.167349D+01 -0.339676D+01 -0.121149D+01 -0.156715D+00 -0.286225D+01
               146           147           148           149           150 
      1  -0.155236D+01 -0.286225D+01 -0.193913D+01 -0.565412D+01 -0.649938D+00
      2  -0.319957D+01 -0.429222D+00 -0.565412D+01  0.524180D+01 -0.242451D+01
      3  -0.429222D+00 -0.249976D+01 -0.649938D+00 -0.242451D+01 -0.176401D+01
               151           152           153           154           155 
      1  -0.331254D+01 -0.638063D+00 -0.380749D+01 -0.747009D+01  0.109207D+01
      2  -0.638063D+00 -0.267436D+01 -0.161002D+01  0.109207D+01 -0.694526D+00
      3  -0.380749D+01 -0.161002D+01  0.511520D+01  0.791011D+00  0.383840D+00
               156           157           158           159           160 
      1   0.791011D+00  0.146521D+01 -0.337424D+00  0.242167D+00  0.902264D+00
      2   0.383840D+00 -0.337424D+00 -0.231759D+00  0.653464D+00  0.132729D+00
      3  -0.237661D+01  0.242167D+00  0.653464D+00  0.714479D+00 -0.114316D+01
               161           162           163           164           165 
      1   0.132729D+00 -0.114316D+01  0.251375D+01  0.126254D+01  0.260118D+01
      2   0.541568D+00  0.333627D+00  0.126254D+01  0.122548D+01  0.963734D+00
      3   0.333627D+00  0.993539D+00  0.260118D+01  0.963734D+00  0.349284D+01
               166           167           168           169           170 
      1   0.199672D+01  0.151666D+01  0.163281D+01  0.184794D+01  0.810141D+00
      2   0.151666D+01  0.148581D+01  0.235399D+01  0.810141D+00  0.145476D+01
      3   0.163281D+01  0.235399D+01  0.362141D+01  0.256044D+01  0.177159D+01
               171           172           173           174           175 
      1   0.256044D+01  0.649891D+00 -0.111084D+01  0.111743D+01 -0.141402D+01
      2   0.177159D+01 -0.111084D+01  0.128268D+01 -0.513283D+00  0.191216D+01
      3   0.518386D+01  0.111743D+01 -0.513283D+00  0.119828D+01 -0.866500D+00
               176           177           178           179           180 
      1   0.191216D+01 -0.866500D+00  0.535914D+00 -0.329035D+00  0.906383D+00
      2  -0.677387D+01  0.383543D+01 -0.329035D+00  0.186809D+01 -0.170480D+01
      3   0.383543D+01 -0.332127D+01  0.906383D+00 -0.170480D+01  0.214279D+01
               181           182           183           184           185 
      1   0.137142D+01  0.356148D+00 -0.140519D+01  0.824836D+00  0.961554D+00
      2   0.356148D+00  0.474981D+00  0.711582D-02  0.961554D+00 -0.200570D+00
      3  -0.140519D+01  0.711582D-02  0.152974D+01 -0.206502D+00 -0.577183D+00
               186           187           188           189           190 
      1  -0.206502D+00 -0.323931D+01  0.111362D+00  0.314794D+01  0.241914D+01
      2  -0.577183D+00  0.111362D+00 -0.809836D+00  0.509059D+00 -0.174942D+01
      3   0.866120D+00  0.314794D+01  0.509059D+00 -0.686254D+01  0.633639D+00
               191           192           193           194           195 
      1  -0.174942D+01  0.633639D+00 -0.439484D+01  0.453230D+01 -0.416555D+00
      2   0.176821D+01 -0.238277D+00  0.453230D+01 -0.754316D+01  0.127328D+01
      3  -0.238277D+00  0.407761D+00 -0.416555D+00  0.127328D+01 -0.114793D+01
               196           197           198           199           200 
      1   0.161025D+01 -0.692838D+00  0.123379D+01  0.630473D+01  0.195578D+01
      2  -0.692838D+00  0.142392D+01 -0.990792D+00  0.195578D+01  0.153446D+01
      3   0.123379D+01 -0.990792D+00  0.376609D+00  0.213891D+01  0.775794D+00
               201           202           203           204           205 
      1   0.213891D+01  0.473031D+01  0.277323D+01  0.134134D+01  0.441094D+01
      2   0.775794D+00  0.277323D+01  0.176631D+01  0.137087D+01  0.103204D+01
      3   0.150216D+01  0.134134D+01  0.137087D+01  0.159579D+01  0.253263D+01
               206           207           208           209           210 
      1   0.103204D+01  0.253263D+01  0.117683D+00 -0.986298D+00  0.414480D+00
      2   0.146089D+01  0.112450D+01 -0.986298D+00 -0.226406D-02 -0.368879D+00
      3   0.112450D+01  0.184216D+01  0.414480D+00 -0.368879D+00 -0.187892D+00
               211           212           213           214           215 
      1  -0.168973D+01 -0.518779D+00  0.100929D+00  0.158040D+01  0.179475D+00
      2  -0.518779D+00 -0.943408D+01  0.155565D+01  0.179475D+00  0.423405D+01
      3   0.100929D+00  0.155565D+01 -0.133242D+01 -0.582497D+00 -0.252780D+01
               216           217           218           219           220 
      1  -0.582497D+00 -0.187999D+01 -0.982759D+00 -0.182987D+01 -0.629568D+00
      2  -0.252780D+01 -0.982759D+00 -0.171573D+01 -0.176266D+01 -0.985745D+00
      3   0.888695D+00 -0.182987D+01 -0.176266D+01 -0.206633D+01 -0.832161D+00
               221           222           223           224           225 
      1  -0.985745D+00 -0.832161D+00 -0.269585D+01 -0.134357D+01 -0.221848D+01
      2  -0.392304D+01 -0.233407D+01 -0.134357D+01 -0.306072D+01 -0.432544D+01
      3  -0.233407D+01 -0.229685D+01 -0.221848D+01 -0.432544D+01 -0.662889D+01
               226           227           228           229           230 
      1  -0.503318D+01  0.350039D+01  0.178490D+01  0.317168D+01 -0.242353D+01
      2   0.350039D+01 -0.259056D+01 -0.156039D+01 -0.242353D+01  0.490256D+01
      3   0.178490D+01 -0.156039D+01 -0.128041D+01 -0.110477D+01  0.175952D+01
               231           232           233           234 
      1  -0.110477D+01  0.217552D+01 -0.175235D+01 -0.165791D+01
      2   0.175952D+01 -0.175235D+01  0.234554D+01  0.774521D+00
      3   0.117428D+01 -0.165791D+01  0.774521D+00  0.110472D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.878609D+00  0.721411D+00 -0.120772D+01  0.118950D+01  0.105113D+02
      2  -0.377363D+01 -0.381658D+00 -0.358581D+01 -0.588499D+00 -0.436492D+01
      3   0.124587D+01 -0.322515D+01  0.220063D+01  0.769654D+01  0.898844D+01
                 6             7             8             9            10 
      1  -0.125554D+01  0.142895D+01  0.182531D+01  0.572910D+00 -0.134312D+01
      2   0.235602D+00 -0.139277D+02 -0.354846D+01 -0.602623D+01 -0.197027D+01
      3   0.336599D+01  0.718395D+01 -0.337799D+00  0.425181D+01 -0.227840D+01
                11            12            13            14            15 
      1  -0.377896D+01 -0.453340D+00 -0.198165D+01 -0.988225D+01 -0.451657D+01
      2   0.452533D+01 -0.128999D+01  0.267550D+01  0.480559D+00  0.164565D+01
      3  -0.476329D+01 -0.382200D+01  0.892262D+01 -0.130093D+02  0.231583D+01
                16            17            18            19            20 
      1  -0.445971D+01  0.161871D+01 -0.252420D+01  0.138209D+01  0.394453D+01
      2  -0.661914D+01  0.694176D+01 -0.636885D+00 -0.229139D+01 -0.769257D+00
      3  -0.784259D+01  0.369497D+01 -0.542491D+01 -0.138074D+01 -0.463879D+01
                21            22            23            24            25 
      1   0.224070D+01  0.219414D+01 -0.105713D+02  0.479101D+01  0.449774D+01
      2   0.425937D+00 -0.153940D+01 -0.731805D+00 -0.375518D+01 -0.587257D+01
      3   0.341913D+00  0.411500D+01  0.146888D+02 -0.919333D+00  0.183619D+01
                26            27            28            29            30 
      1   0.182955D+02  0.416366D+01 -0.176621D+00 -0.623442D+00 -0.234511D-02
      2  -0.514590D+01 -0.200919D+01 -0.124354D+01  0.593640D+01  0.322967D+01
      3  -0.329116D+01  0.326439D+01 -0.125685D+02 -0.200720D+02 -0.481956D+01
                31            32            33            34            35 
      1  -0.337405D+00 -0.344239D+01 -0.796576D+00  0.129272D+01  0.111401D+02
      2   0.716250D+01  0.366667D+01  0.919208D+01 -0.337109D+01  0.746476D+01
      3  -0.154224D+02 -0.439952D+02 -0.262680D+01 -0.733963D+01 -0.418704D+01
                36            37            38            39            40 
      1   0.220283D+01  0.191390D+01  0.486110D+01  0.412696D+01  0.367370D+01
      2   0.554918D+01 -0.492384D+01 -0.116146D+02 -0.537111D+01 -0.805468D+01
      3  -0.815024D+01 -0.224854D+01  0.126403D+02  0.919245D+01  0.273592D+02
                41            42            43            44            45 
      1  -0.309439D+01  0.171413D+01  0.936647D+01  0.965548D+01  0.258507D+01
      2   0.103806D+02 -0.992572D+01 -0.213291D+02 -0.202633D+02 -0.601616D+01
      3   0.156486D+02 -0.138108D+02  0.648652D+01 -0.164355D+02  0.124353D+02
                46            47            48            49            50 
      1  -0.364251D+00 -0.222589D+01 -0.167693D+01 -0.872912D+00  0.507337D+01
      2  -0.228085D+01 -0.437708D+01 -0.320438D+01 -0.274262D+01 -0.128886D+01
      3   0.573123D+01  0.866307D+01  0.440699D+01  0.207814D+02  0.475194D+02
                51            52            53            54            55 
      1  -0.310455D+01  0.951700D-01  0.136835D+01 -0.856054D+00  0.184820D+01
      2  -0.706398D+01 -0.136523D+02 -0.110915D+02 -0.448695D+01 -0.228007D+01
      3   0.281599D+01  0.650053D+01  0.275491D+01  0.100298D+02 -0.479370D+01
                56            57            58            59            60 
      1   0.635468D+01  0.239527D+01  0.337070D+01 -0.531873D+01  0.680975D+01
      2   0.627593D+00  0.141579D+01  0.573887D+00  0.822358D+00  0.332874D+00
      3  -0.106588D+02 -0.328113D+01 -0.372265D+01 -0.141073D+02 -0.266489D+01
                61            62            63            64            65 
      1   0.638886D+01  0.232535D+02  0.643724D+01  0.229774D+01  0.306391D+01
      2  -0.326881D+01 -0.228192D+01  0.830970D+00  0.145113D+02 -0.322760D+01
      3  -0.583094D+01 -0.549386D+01 -0.556483D+01 -0.262218D+00 -0.905830D+01
                66            67            68            69            70 
      1   0.193910D+01 -0.426946D+01  0.999438D+00 -0.538544D+01  0.514842D+00
      2   0.148534D+02 -0.113240D+00  0.704577D+01  0.126880D+01  0.404876D+01
      3   0.652587D+00 -0.781357D+01  0.825465D+01 -0.566291D+01 -0.674426D+00
                71            72            73            74            75 
      1   0.636061D+01 -0.351276D+00  0.540235D+00 -0.714191D+00  0.123272D+01
      2   0.992746D+00 -0.198326D+01  0.270890D+01 -0.108647D+01  0.123952D+01
      3  -0.561271D+01 -0.205742D+01 -0.433379D+00 -0.117975D+01  0.356846D+00
                76            77            78            79            80 
      1  -0.944653D-01  0.121839D+01 -0.600645D+00  0.705058D+00  0.339003D+01
      2  -0.194647D+01 -0.116631D+01 -0.191429D+01 -0.397684D+01 -0.589395D+00
      3   0.304897D+01  0.604219D+00  0.139496D+01  0.205539D+01  0.219506D+01
                81            82            83            84            85 
      1  -0.157522D+01  0.107962D+01 -0.256819D+00 -0.191565D+01  0.394269D+00
      2  -0.167824D+01  0.229158D+01 -0.643280D+00  0.271650D+01 -0.186600D-01
      3   0.590776D+00  0.354418D+01 -0.192188D+01 -0.169362D+00  0.322469D+01
                86            87            88            89            90 
      1  -0.153661D+01 -0.163032D+01 -0.151340D+01  0.148909D+01  0.290479D+01
      2  -0.106327D+01  0.112536D+01 -0.220784D+01  0.590703D-01 -0.214720D+01
      3  -0.266856D+01  0.874808D+00 -0.180498D+01  0.165385D+01  0.963188D+00
                91            92            93            94            95 
      1  -0.356074D+01 -0.156983D+01 -0.270734D+01 -0.227805D+01 -0.120976D+01
      2   0.796383D+01  0.469984D+01  0.830202D+01  0.452718D+01  0.437274D+01
      3  -0.279934D+01 -0.569268D+01 -0.267175D+01 -0.679507D+01 -0.906641D+01
                96            97            98            99           100 
      1  -0.314983D+01 -0.525519D+01 -0.275260D+01 -0.569618D+01  0.224010D+01
      2   0.691978D+01  0.108836D+02  0.104629D+02  0.171351D+02 -0.409271D+01
      3  -0.276342D+01 -0.395196D+01 -0.612706D+01 -0.690282D+01  0.114912D+02
               101           102           103           104           105 
      1  -0.174431D+01 -0.992604D+00 -0.167597D+01  0.235298D+01 -0.271435D+00
      2   0.217157D+01  0.620064D+01  0.362024D+01 -0.321336D+01 -0.443934D+01
      3  -0.833235D+01 -0.415843D+01 -0.839902D+01  0.102226D+02  0.465141D+01
               106           107           108           109           110 
      1  -0.198450D+01  0.158194D+01  0.725898D+00 -0.286067D+00 -0.937467D+00
      2   0.471335D+01 -0.132580D+01 -0.472148D+01 -0.155418D+01  0.183660D+01
      3  -0.487300D+01  0.526192D+01  0.272070D+01 -0.303894D+01 -0.673725D+00
               111           112           113           114           115 
      1  -0.279296D+00  0.115863D+01  0.115730D+01 -0.397272D+01 -0.274343D+01
      2   0.116790D+01 -0.166147D+01 -0.108784D+02  0.932458D+01  0.414833D+01
      3  -0.125670D+01 -0.672468D+01 -0.229697D+02  0.108999D+02  0.198405D+01
               116           117           118           119           120 
      1  -0.181699D+01  0.313013D+01 -0.447652D+01 -0.343550D+01 -0.386654D+01
      2   0.114470D+02 -0.101467D+02 -0.125375D+01 -0.103984D+01  0.762297D+00
      3   0.141591D+02 -0.104925D+02  0.616764D+01  0.228177D+01  0.377364D+01
               121           122           123           124           125 
      1  -0.122140D+01 -0.526174D+01 -0.642764D+01 -0.394073D+01 -0.977101D+01
      2  -0.448587D+00 -0.964523D+00  0.104811D+00 -0.185252D+01 -0.447831D+00
      3   0.638058D+01  0.690153D+01  0.227358D+01  0.100656D+02  0.515132D+01
               126           127           128           129           130 
      1  -0.130108D+02  0.154429D+01 -0.204917D+01  0.156212D+00  0.510022D+00
      2  -0.931724D+00  0.812773D+00  0.880749D+00  0.100118D+01  0.509791D-01
      3   0.449885D+01 -0.842914D+00  0.110282D+01 -0.127378D+01  0.815253D+01
               131           132           133           134           135 
      1   0.724119D+01 -0.708195D+01 -0.255182D+01 -0.769356D+01  0.619331D+01
      2  -0.957177D+00 -0.749065D-01 -0.173580D+01  0.202224D+00  0.144825D-01
      3   0.563406D+01 -0.421618D+00 -0.445442D+01 -0.435684D+00  0.241552D+01
               136           137           138           139           140 
      1  -0.732197D+01 -0.439862D+01 -0.320418D+01 -0.733848D+01  0.812044D+01
      2  -0.188902D+02  0.317737D+01  0.484007D+01  0.405852D+01 -0.266665D+01
      3   0.720637D-01  0.164694D+01  0.279384D+01  0.894739D+01 -0.644586D+01
               141           142           143           144           145 
      1  -0.148480D+02 -0.275053D+01 -0.728292D+01 -0.367530D+01 -0.158952D+01
      2  -0.558543D+00  0.765852D+00 -0.873927D+00  0.529832D+01 -0.104250D+02
      3   0.826380D+01  0.249529D+01  0.563378D+01  0.364294D+01  0.730523D+01
               146           147           148           149           150 
      1  -0.289167D+00 -0.191021D+01  0.175551D+00 -0.216493D+01 -0.219024D+01
      2  -0.184835D+01 -0.986714D+01 -0.253189D+01 -0.102413D+02 -0.636243D+01
      3   0.128404D+02  0.315110D+01  0.264640D+02 -0.168966D+02  0.948479D+01
               151           152           153           154           155 
      1  -0.289955D+01  0.145273D+01  0.331105D+01  0.454941D+01 -0.275990D+01
      2  -0.194089D+02 -0.519893D+01  0.179668D+02  0.235201D+02 -0.324735D+01
      3   0.379082D+01  0.938140D+01  0.779168D+01  0.310678D+01 -0.122737D+01
               156           157           158           159           160 
      1   0.769361D-01 -0.212464D+01  0.453236D+00  0.213482D+00 -0.626598D+00
      2  -0.104404D+01 -0.435584D+01  0.145316D+01 -0.218059D+00 -0.460070D+01
      3  -0.407598D+00  0.185564D+01  0.842532D-01 -0.540901D+00 -0.280841D+00
               161           162           163           164           165 
      1   0.141403D+01  0.669327D+00  0.391254D+01  0.471409D+01  0.299930D+01
      2   0.293433D+00  0.230827D+01 -0.117187D+01 -0.101507D+01  0.263975D+01
      3   0.326186D+00  0.145688D+00 -0.213213D+01 -0.380826D+01 -0.237540D+01
               166           167           168           169           170 
      1   0.389600D+01  0.552781D+01  0.508118D+01  0.316762D+01  0.608662D+01
      2  -0.290770D+01  0.947710D+00  0.305794D+01 -0.275892D+01  0.693831D+00
      3  -0.136162D+01 -0.348377D+01 -0.405606D+01 -0.142654D+01 -0.334917D+01
               171           172           173           174           175 
      1   0.594197D+01 -0.957447D+00  0.268297D+01  0.588596D+00  0.339566D+01
      2   0.330917D+01  0.784570D+00  0.555720D+00  0.103241D+01  0.289501D+01
      3  -0.364053D+01  0.939655D+00 -0.235815D+01  0.454761D+00  0.112689D+01
               176           177           178           179           180 
      1  -0.132560D+02  0.285942D+01 -0.451525D+00  0.463510D+01 -0.193999D+01
      2   0.301758D+01 -0.431327D+01 -0.141944D+01 -0.146064D+01  0.182368D+01
      3   0.987498D+01 -0.542985D+01 -0.562175D+00 -0.276275D+01  0.213712D+01
               181           182           183           184           185 
      1  -0.894157D+00 -0.545843D+00  0.820810D+00 -0.124217D+00 -0.437666D+00
      2  -0.452552D+01  0.146067D+00  0.624849D+01  0.704530D-01 -0.125859D+01
      3  -0.173493D+01 -0.232269D+01  0.824221D+00 -0.227893D+01 -0.216232D-01
               186           187           188           189           190 
      1  -0.230771D+00  0.140832D+01  0.313562D+01 -0.362561D+01  0.450919D+00
      2   0.319115D+01  0.625155D+01  0.214837D+01 -0.240096D+02  0.230817D+01
      3   0.192555D+01  0.954274D+00  0.390403D+01 -0.332120D+01  0.490013D+01
               191           192           193           194           195 
      1  -0.284968D+00  0.875280D+00 -0.234373D+00  0.130707D+01 -0.367941D+01
      2  -0.118307D+01  0.297538D+01 -0.170067D+01  0.521992D+01 -0.532763D+01
      3  -0.717473D+01  0.628466D+00 -0.105381D+02  0.256622D+02 -0.458045D+01
               196           197           198           199           200 
      1   0.679247D+00  0.150524D+00  0.689247D+00  0.130408D+01  0.823065D+00
      2   0.286095D+01 -0.294366D+01  0.141376D+01  0.788542D+01  0.317479D+01
      3   0.776574D+00 -0.507863D+01  0.248890D+01 -0.101488D+02 -0.856797D+01
               201           202           203           204           205 
      1   0.145610D+00  0.889766D+00  0.109500D+01 -0.787185D+00  0.117582D+01
      2   0.802354D+01  0.476113D+01  0.524708D+01  0.720137D+01  0.714850D+01
      3  -0.410017D+01 -0.101311D+02 -0.862188D+01 -0.571443D+01 -0.526339D+01
               206           207           208           209           210 
      1   0.166459D+01  0.139906D+00  0.245995D+01 -0.100590D+01  0.241060D+00
      2   0.420159D+01  0.737699D+01 -0.758135D+00  0.501448D+00  0.153019D+01
      3  -0.710242D+01 -0.527677D+01 -0.189586D+01  0.351184D+00 -0.149726D+01
               211           212           213           214           215 
      1   0.740925D+00  0.109430D+02 -0.632575D+01 -0.112504D+01 -0.780149D+01
      2  -0.147162D+01 -0.267844D+01  0.158429D+01  0.801033D+00  0.310428D+01
      3   0.584833D+01 -0.114997D+02  0.124483D+01 -0.484350D+01  0.565325D+01
               216           217           218           219           220 
      1   0.512515D+01 -0.228297D+01 -0.185049D+01 -0.284340D+01 -0.313543D+00
      2  -0.198392D+01 -0.288883D+00  0.996075D+00  0.178679D+01 -0.550932D+00
      3  -0.236260D+01  0.286475D+01 -0.277952D+01  0.152086D-01  0.219811D+01
               221           222           223           224           225 
      1   0.333018D+00 -0.303165D+01 -0.145304D+01 -0.333582D+01 -0.812635D+01
      2   0.172812D+01  0.191108D+01 -0.351709D+01  0.351865D+01  0.532538D+01
      3  -0.424489D+01 -0.121867D+01  0.377764D+01 -0.200856D+01 -0.228194D+01
               226           227           228           229           230 
      1  -0.139108D+01  0.130471D+01  0.322100D+01  0.103114D+01 -0.139441D+01
      2  -0.816321D+00  0.244060D+01  0.434954D+01  0.236868D+00 -0.290873D+01
      3  -0.304064D+01 -0.127529D+01 -0.194208D+00  0.285048D+01  0.517842D+01
               231           232           233           234 
      1  -0.256129D+01  0.326461D+01  0.214076D+01 -0.217676D+01
      2  -0.314201D+01  0.211157D+01  0.140919D+01 -0.182218D+01
      3   0.114628D+01  0.124155D+01  0.245248D+01 -0.190096D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.123829D+02 -0.549996D+01 -0.952846D+01 -0.614560D+01 -0.277416D+01
      2   0.913504D+01  0.200380D+01  0.122201D+01  0.132063D+01  0.780920D+01
      3   0.324787D+01  0.349616D+01  0.830645D+01  0.482497D+01 -0.503504D+01
      4   0.149483D+01 -0.236169D+00 -0.269602D+01 -0.209972D+01 -0.319778D+01
      5  -0.154422D-01 -0.493178D+01 -0.978407D+01  0.864541D+00  0.220024D+00
      6  -0.247963D+01  0.797850D+00  0.485973D+01  0.291452D+01  0.293909D+01
                 6             7             8             9            10 
      1   0.689672D+01 -0.201923D+02 -0.132033D+01 -0.255398D+01 -0.621435D+01
      2  -0.170832D+01  0.678259D+01  0.303061D+01  0.642858D+01  0.624151D+01
      3  -0.518840D+01  0.134097D+02 -0.171028D+01 -0.387460D+01 -0.271536D-01
      4  -0.563516D-02 -0.646442D+01  0.711295D+01  0.786065D+01 -0.768929D+00
      5   0.565574D+01 -0.855718D+01  0.648032D+01  0.854426D+01  0.452065D+01
      6  -0.413731D+01  0.799818D+01 -0.366801D+01 -0.720336D+01  0.552467D+01
                11            12            13            14            15 
      1   0.735820D+01 -0.420510D+01  0.770466D+01 -0.107169D+02 -0.636063D+00
      2  -0.689013D+00  0.295315D+01 -0.232427D+01  0.122965D+02  0.202512D+01
      3  -0.666919D+01  0.125195D+01 -0.538039D+01 -0.157959D+01 -0.138905D+01
      4  -0.572171D+01  0.104129D+02 -0.111966D+02  0.756779D+01  0.655598D+01
      5   0.854330D+01 -0.887721D+01  0.279509D+01  0.340083D+01 -0.375140D+01
      6   0.199958D+01 -0.587749D+01  0.624985D+01  0.283270D+01 -0.147023D+01
                16            17            18            19            20 
      1  -0.537392D+01  0.120490D+02 -0.650305D+01  0.955905D+00  0.833145D+01
      2   0.303971D+01 -0.647297D+01  0.672611D+01  0.146185D+01 -0.183738D+01
      3   0.233421D+01 -0.557606D+01 -0.223056D+00 -0.241776D+01 -0.649407D+01
      4   0.174207D+02  0.496250D+01 -0.245142D+01  0.317433D+01  0.738304D+00
      5  -0.847851D+01 -0.338404D+01  0.498798D+01 -0.355252D+01 -0.331762D+01
      6  -0.636946D+01 -0.101204D+01  0.423805D+01 -0.823645D+00 -0.527023D+01
                21            22            23            24            25 
      1   0.613836D+01  0.136525D+02  0.215061D+02 -0.372717D+01  0.709989D+01
      2  -0.122578D+01 -0.771366D+01 -0.258048D+02  0.109920D+02  0.144455D-01
      3  -0.491257D+01 -0.593889D+01  0.429865D+01 -0.726486D+01 -0.711434D+01
      4  -0.555829D+01 -0.997605D+00 -0.180062D+02 -0.553139D+01 -0.587349D+01
      5  -0.750686D+01 -0.484577D+01 -0.525623D+01 -0.976493D+01 -0.962062D+01
      6  -0.710692D+01 -0.378901D+01  0.152526D+01 -0.102217D+02 -0.100496D+02
                26            27            28            29            30 
      1  -0.354777D+01  0.909944D+01  0.209467D+02  0.138027D+02  0.185620D+01
      2   0.208775D+02 -0.115830D+01 -0.151584D+02 -0.742735D+01 -0.235089D+01
      3  -0.173297D+02 -0.794113D+01 -0.578838D+01 -0.637531D+01  0.494691D+00
      4  -0.700667D+01 -0.166333D+02  0.532446D+01  0.210083D+02  0.631205D+01
      5  -0.155874D+02 -0.147924D+02  0.419916D+01  0.461350D+01  0.637313D+01
      6  -0.215685D+02 -0.166520D+02  0.112742D+01 -0.113256D+01 -0.222491D+01
                31            32            33            34            35 
      1   0.155712D+02  0.300089D+02  0.813453D+01  0.756905D+01  0.766808D+01
      2  -0.106129D+02 -0.218014D+02 -0.290631D+01 -0.740141D+01 -0.536416D+01
      3  -0.495830D+01 -0.820755D+01 -0.522822D+01 -0.167637D+00 -0.230392D+01
      4   0.249955D+02  0.520190D+02  0.161973D+01  0.641266D+01  0.312599D+01
      5   0.579439D+01 -0.665194D-02  0.104124D+02  0.163218D+02  0.106608D+02
      6  -0.118184D+01  0.391834D+01  0.335351D+01  0.576139D-03  0.880687D+01
                36            37            38            39            40 
      1   0.756151D+01 -0.216837D+02  0.186846D+01 -0.329729D+01  0.996671D+01
      2  -0.130299D+02  0.162235D+02 -0.226162D+01  0.433382D+00 -0.697957D+01
      3   0.546835D+01  0.546021D+01  0.393154D+00  0.286391D+01 -0.298714D+01
      4   0.792017D+01  0.392423D+01 -0.231101D+02 -0.194349D+02 -0.369396D+02
      5   0.895980D+01 -0.643955D+01 -0.208435D+02 -0.164528D+02 -0.188431D+02
      6  -0.133917D+01 -0.804324D+01 -0.445703D+01 -0.417622D+01  0.261926D+01
                41            42            43            44            45 
      1  -0.252988D+02 -0.238245D+02 -0.107038D+02 -0.292020D+02 -0.192118D+02
      2   0.120055D+02  0.162425D+02  0.536150D+01  0.207241D+02  0.814523D+01
      3   0.132933D+02  0.758200D+01  0.534233D+01  0.847791D+01  0.110665D+02
      4  -0.272004D+02  0.159730D+02 -0.217754D+02  0.148193D+02 -0.271329D+02
      5   0.201447D+02 -0.186524D+02 -0.350130D+02 -0.317316D+02 -0.108266D+02
      6   0.116344D+02 -0.135774D+02 -0.118918D+02 -0.204662D+02 -0.836783D+00
                46            47            48            49            50 
      1  -0.221829D+02 -0.132638D+02 -0.121231D+01 -0.271011D+02 -0.420496D+02
      2   0.131519D+02  0.144016D+02  0.234708D+01  0.242219D+02  0.385215D+02
      3   0.903106D+01 -0.113781D+01 -0.113477D+01  0.287921D+01  0.352815D+01
      4   0.707121D+01 -0.173427D+02 -0.130329D+02 -0.258300D+02 -0.351352D+02
      5   0.101937D+02 -0.102577D+02 -0.372307D+01 -0.846533D+01  0.692985D+01
      6  -0.744375D+01  0.813525D+01  0.332602D+01  0.791094D+01 -0.109309D+02
                51            52            53            54            55 
      1  -0.383626D+01 -0.355845D+01 -0.814080D+01 -0.158043D+02  0.661594D+01
      2   0.177104D+00  0.344562D+01 -0.476930D+01  0.323439D+01 -0.565593D+01
      3   0.365915D+01  0.112824D+00  0.129101D+02  0.125699D+02 -0.960011D+00
      4   0.917008D+01 -0.193402D+02  0.142453D+02 -0.936827D+01  0.414751D+00
      5  -0.806831D+01 -0.185999D+01 -0.923938D+01 -0.136195D+01 -0.405496D+01
      6   0.224699D+01  0.496156D+01  0.158103D+02  0.627250D+00 -0.227016D+01
                56            57            58            59            60 
      1   0.104696D+02  0.792257D+01  0.120885D+02  0.437497D+02 -0.486118D+01
      2  -0.116631D+02 -0.101965D+02 -0.125277D+02 -0.466279D+02  0.980725D+01
      3   0.119350D+01  0.227396D+01  0.439171D+00  0.287821D+01 -0.494608D+01
      4   0.227764D+01  0.175535D+00  0.710337D+01  0.381419D+01 -0.110168D+02
      5  -0.472800D+00 -0.309255D+01  0.143529D+00 -0.700023D+01  0.780496D+00
      6  -0.108880D+02 -0.351370D+01 -0.594095D+01  0.131491D+02 -0.183503D+02
                61            62            63            64            65 
      1   0.832997D+01 -0.736281D+01  0.239572D+02  0.697997D+00  0.369825D+01
      2  -0.777249D+01  0.148369D+02 -0.269425D+02 -0.582828D+01 -0.366454D+01
      3  -0.557476D+00 -0.747414D+01  0.298533D+01  0.513028D+01 -0.337106D-01
      4  -0.142791D+01 -0.141185D+02 -0.280349D+01  0.291547D+01  0.502605D+01
      5  -0.169295D+01 -0.343777D+01 -0.374396D+01  0.122008D+02 -0.810581D+00
      6  -0.100904D+02 -0.385342D+02 -0.714101D+01 -0.179764D+01  0.416954D+01
                66            67            68            69            70 
      1   0.115470D+02  0.599339D+01  0.143135D+02  0.828816D+00  0.209409D+02
      2  -0.912243D+01 -0.420620D+01 -0.905463D+01 -0.219933D+01 -0.141252D+02
      3  -0.242457D+01 -0.178720D+01 -0.525888D+01  0.137051D+01 -0.681574D+01
      4  -0.332988D+01  0.186260D+02 -0.149651D+02  0.778625D+01 -0.502247D+01
      5   0.145076D+02 -0.208456D+00  0.858822D+01  0.214084D+01  0.198898D+02
      6  -0.888339D+00  0.721832D+00 -0.550201D+01  0.338712D+01 -0.281611D+01
                71            72            73            74            75 
      1  -0.200019D+01  0.146501D+02  0.161760D+01  0.498632D+00  0.327933D+01
      2  -0.607556D+00 -0.115581D+02 -0.443900D+01  0.115077D+01  0.378785D+01
      3   0.260775D+01 -0.309201D+01  0.282141D+01 -0.164940D+01 -0.706718D+01
      4   0.561192D+01 -0.110513D+01 -0.685133D+01  0.666653D+01  0.525844D+01
      5   0.744001D+00 -0.221847D+01 -0.838917D+01  0.538836D+01  0.128714D+02
      6   0.452981D+01  0.107979D+01  0.529080D+01 -0.416291D+01 -0.609260D+01
                76            77            78            79            80 
      1   0.786947D+00 -0.902454D+01 -0.887659D+01  0.316301D+01 -0.806015D+01
      2   0.911531D+00  0.341211D+01  0.743752D+00  0.376377D+01 -0.161200D+01
      3  -0.169848D+01  0.561243D+01  0.813284D+01 -0.692678D+01  0.967215D+01
      4   0.419682D+01 -0.473712D+01 -0.574254D+01  0.503781D+01 -0.624984D+01
      5   0.424639D+01 -0.591474D+01 -0.710521D+01  0.966630D+01 -0.775963D+01
      6  -0.330274D+01  0.976500D+01  0.126520D+02 -0.519348D+01  0.124898D+02
                81            82            83            84            85 
      1  -0.187125D+02  0.887071D+01  0.456941D+00 -0.155182D+00 -0.131346D+01
      2  -0.987844D+01 -0.643658D+01  0.547763D+00  0.218510D+01  0.125712D+01
      3   0.285910D+02 -0.243413D+01 -0.100470D+01 -0.202992D+01  0.563331D-01
      4  -0.903201D+01  0.143163D+02  0.129933D+02 -0.100062D+02  0.993613D+01
      5  -0.169723D+02 -0.126692D+02 -0.877513D+01  0.132243D+02 -0.678526D+01
      6   0.184205D+02 -0.860114D+01 -0.783119D+01  0.817128D+01 -0.684548D+01
                86            87            88            89            90 
      1  -0.656032D+01  0.333532D+01 -0.822707D+00  0.286000D+01 -0.571706D+01
      2   0.780257D+01 -0.201996D+01  0.333125D+01 -0.174291D+00 -0.390081D+01
      3  -0.124225D+01 -0.131535D+01 -0.250855D+01 -0.268571D+01  0.961787D+01
      4   0.137615D+02 -0.934666D+01 -0.948545D+01 -0.100213D+02  0.110647D+02
      5  -0.860620D+01  0.677105D+01  0.115087D+02  0.936198D+01 -0.137487D+02
      6  -0.122472D+02  0.110444D+02  0.889424D+01  0.125273D+02 -0.142320D+02
                91            92            93            94            95 
      1   0.353704D+02  0.129268D+02  0.156629D+02  0.148189D+02  0.124948D+02
      2  -0.192458D+02 -0.521060D+01 -0.809700D+01 -0.544310D+01 -0.312349D+01
      3  -0.161246D+02 -0.771616D+01 -0.756587D+01 -0.937579D+01 -0.937128D+01
      4   0.168136D+02  0.137037D+02  0.106934D+02  0.225434D+02  0.216581D+02
      5   0.200375D+02  0.107318D+02  0.176271D+02  0.105575D+02  0.905600D+01
      6   0.638512D+01  0.335127D+01  0.433340D+01  0.437561D+01  0.417885D+01
                96            97            98            99           100 
      1   0.683497D+01  0.349251D+02  0.155558D+02  0.159719D+02  0.499776D+02
      2  -0.214604D+01 -0.200836D+02 -0.776546D+01 -0.124358D+02 -0.289383D+02
      3  -0.468892D+01 -0.148415D+02 -0.779039D+01 -0.353617D+01 -0.210394D+02
      4   0.932249D+01  0.224717D+02  0.175201D+02  0.190212D+02 -0.151896D+02
      5   0.130681D+02  0.309086D+02  0.216297D+02  0.346711D+02 -0.159190D+02
      6   0.785687D+01  0.987133D+01  0.112926D+02  0.109134D+02  0.144835D+01
               101           102           103           104           105 
      1  -0.160274D+02 -0.119738D+02 -0.351921D+02  0.133978D+02  0.936320D+01
      2   0.997597D+01  0.857149D+01  0.202122D+02 -0.693559D+01 -0.725939D+01
      3   0.605144D+01  0.340233D+01  0.149798D+02 -0.646218D+01 -0.210380D+01
      4   0.120966D+02  0.544307D+01  0.184193D+02 -0.166728D+02 -0.742477D+01
      5   0.653241D+01  0.135435D+02  0.129640D+02 -0.796455D+01 -0.940114D+01
      6  -0.533969D+00  0.346412D+00 -0.189543D+01  0.184884D+01  0.290181D+01
               106           107           108           109           110 
      1  -0.174772D+02  0.674673D+01  0.108924D+02  0.389401D+01  0.701433D+01
      2   0.125589D+02 -0.573532D+01 -0.928770D+01 -0.211748D+01 -0.424609D+01
      3   0.491831D+01 -0.101141D+01 -0.160474D+01 -0.177653D+01 -0.276825D+01
      4   0.662498D+01 -0.690020D+01 -0.356006D+01  0.498004D+01  0.507985D+01
      5   0.181736D+02 -0.401000D+01 -0.117569D+02 -0.300577D+01 -0.295789D+00
      6  -0.656930D+00  0.379187D+01  0.115052D+01 -0.203987D+01  0.134075D+01
               111           112           113           114           115 
      1  -0.421173D+01  0.134216D+02 -0.105504D+01  0.531654D+01 -0.783938D+01
      2   0.192393D+01 -0.443231D+01  0.117566D+02 -0.545863D+01  0.441171D+01
      3   0.228780D+01 -0.898934D+01 -0.107015D+02  0.142092D+00  0.342768D+01
      4  -0.659029D+00  0.224369D+02  0.410136D+02 -0.187784D+02 -0.871063D+01
      5   0.467720D+01 -0.793145D+01 -0.212917D+02  0.178455D+02  0.168433D+02
      6   0.419210D+00 -0.686816D+01 -0.188631D+02  0.137264D+02  0.775346D+01
               116           117           118           119           120 
      1   0.668042D+01 -0.848999D+00 -0.305796D+01 -0.653122D+01 -0.466459D+01
      2  -0.606428D+01 -0.211067D+01  0.309548D+01  0.836135D+01  0.465869D+01
      3  -0.616140D+00  0.295967D+01 -0.375267D-01 -0.183012D+01  0.589929D-02
      4  -0.225681D+02  0.195054D+02  0.599394D+01  0.849698D+01  0.518462D+01
      5   0.229565D+02 -0.194253D+02  0.252299D+01  0.356792D+01  0.497643D+01
      6   0.173878D+02 -0.134343D+02  0.737545D+01  0.757457D+01  0.585549D+01
               121           122           123           124           125 
      1  -0.601012D+01 -0.248663D+02 -0.907843D+01 -0.755746D+01 -0.199823D+02
      2   0.772128D+01  0.300095D+02  0.101442D+02  0.614609D+01  0.196784D+02
      3  -0.171116D+01 -0.514327D+01 -0.106580D+01  0.141137D+01  0.303869D+00
      4   0.378077D+01  0.381948D+01  0.366988D+01  0.577915D+01  0.609899D+01
      5   0.169465D+01  0.285888D+01  0.115888D+01  0.531494D+01  0.405702D+01
      6   0.446661D+01  0.147445D+02  0.148271D+02  0.816474D+01  0.282125D+02
               126           127           128           129           130 
      1  -0.198010D+02 -0.152008D+01  0.298740D+01 -0.212400D+01 -0.413701D+01
      2   0.145060D+02  0.463187D+01 -0.590497D+01  0.249158D+01  0.223680D+01
      3   0.529500D+01 -0.311179D+01  0.291757D+01 -0.367583D+00  0.190021D+01
      4   0.447312D+01 -0.381299D+01  0.109426D+02 -0.388247D+01  0.545723D+01
      5   0.318827D+01  0.235490D+01 -0.248234D+01  0.388196D+01 -0.195516D+01
      6   0.239717D+02 -0.445833D+01  0.496098D+01 -0.814921D+00  0.345068D+00
               131           132           133           134           135 
      1  -0.444937D+02  0.144523D+02  0.595455D+00  0.238891D+02 -0.176345D+02
      2   0.613928D+02 -0.185880D+02  0.656067D+00 -0.286161D+02  0.162900D+02
      3  -0.168990D+02  0.413567D+01 -0.125152D+01  0.472695D+01  0.134453D+01
      4  -0.995627D+01  0.441669D+01 -0.364191D+01  0.572764D+01 -0.338374D+01
      5   0.327391D+01 -0.150057D+01  0.327372D+01 -0.181706D+01  0.234716D+01
      6  -0.286079D+02  0.170243D+02  0.237474D+01  0.286301D+02 -0.168983D+02
               136           137           138           139           140 
      1   0.154788D+02 -0.468070D+01 -0.378039D+00 -0.740909D+01  0.690030D+01
      2  -0.577229D+00  0.684537D+01  0.838560D+01  0.112665D+02 -0.208135D+01
      3  -0.149016D+02 -0.216467D+01 -0.800757D+01 -0.385743D+01 -0.481896D+01
      4  -0.861955D+01 -0.329367D+01 -0.201721D+01 -0.978408D+01  0.153090D+02
      5   0.107550D+01 -0.679244D+01 -0.151103D+02 -0.846688D+01 -0.201743D+02
      6  -0.519068D+01 -0.884607D+01 -0.307762D+01 -0.135224D+02  0.200197D+02
               141           142           143           144           145 
      1  -0.452135D+01 -0.103183D+01 -0.228634D+01 -0.100088D+02  0.360841D+01
      2   0.148680D+02  0.796637D+01  0.110562D+02  0.372224D+01 -0.115815D+01
      3  -0.103466D+02 -0.693455D+01 -0.876985D+01  0.628653D+01 -0.245026D+01
      4  -0.164354D+02 -0.791386D+00 -0.105430D+02 -0.367541D+01 -0.157882D+02
      5  -0.903748D+01 -0.202172D+02 -0.621949D+01 -0.108329D+02 -0.200988D+02
      6  -0.193434D+02 -0.237506D+01 -0.151553D+02 -0.811362D+01  0.636950D+00
               146           147           148           149           150 
      1  -0.169345D+02 -0.173330D+02 -0.226348D+02 -0.223964D+02 -0.819321D+01
      2   0.138915D+02  0.703825D+01  0.209228D+02  0.416691D+00  0.695299D+01
      3   0.304291D+01  0.102948D+02  0.171198D+01  0.219798D+02  0.124022D+01
      4  -0.229656D+02 -0.353179D+01 -0.398748D+02  0.355333D+02 -0.172679D+02
      5  -0.382342D+01 -0.186022D+02 -0.588141D+01 -0.156243D+02 -0.121108D+02
      6  -0.200388D+01  0.599435D+00 -0.272138D+01  0.261357D+01 -0.115666D+01
               151           152           153           154           155 
      1  -0.236177D+02 -0.754187D+01 -0.202899D+02 -0.851529D+01  0.145190D-01
      2   0.719523D+01  0.636995D+01  0.173522D+02  0.230334D+01 -0.469316D+00
      3   0.164225D+02  0.117192D+01  0.293769D+01  0.621195D+01  0.454797D+00
      4  -0.473277D+01 -0.181904D+02 -0.958486D+01  0.566248D+01  0.664027D-01
      5  -0.263121D+02 -0.102821D+02  0.315906D+02 -0.147167D+02  0.191255D+01
      6   0.767387D+00  0.118896D+01 -0.375856D+01  0.191367D+01 -0.306368D+01
               156           157           158           159           160 
      1   0.930533D+01  0.146161D+01 -0.235357D+01 -0.139053D+01  0.504413D+01
      2   0.294579D+01 -0.190551D+01  0.108086D+01 -0.230354D+01  0.210989D+01
      3  -0.122511D+02  0.443899D+00  0.127271D+01  0.369406D+01 -0.715402D+01
      4  -0.970889D+00  0.151884D+01 -0.795574D+00  0.139173D+01 -0.840570D+00
      5   0.321858D+01  0.269078D+01  0.785389D+00  0.160718D+01  0.643447D+01
      6   0.183154D+01 -0.131658D+01 -0.936865D+00  0.379608D+01  0.512375D+00
               161           162           163           164           165 
      1  -0.780118D+00 -0.385645D+01  0.720784D+01  0.301128D+01  0.125224D+01
      2  -0.104670D+01 -0.255673D+01 -0.115741D+02 -0.466233D+01 -0.123280D+02
      3   0.182682D+01  0.641318D+01  0.436630D+01  0.165105D+01  0.110758D+02
      4  -0.221782D+00  0.133792D+01  0.604809D+01  0.620444D+01  0.441793D+01
      5   0.464656D+00 -0.392210D+01  0.182570D+02  0.770802D+01  0.215537D+02
      6   0.277534D+01  0.116363D+01  0.582648D+01  0.659230D+01  0.486162D+01
               166           167           168           169           170 
      1   0.415761D+01 -0.233243D+01 -0.414647D+01  0.201261D+00 -0.223438D+01
      2  -0.696792D+01 -0.252038D+01 -0.102669D+02 -0.961686D+01 -0.608980D+01
      3   0.281031D+01  0.485281D+01  0.144134D+02  0.941560D+01  0.832418D+01
      4   0.735698D+01  0.657017D+01  0.897387D+01  0.317323D+01  0.550980D+01
      5   0.122555D+02  0.115427D+02  0.161432D+02  0.167783D+02  0.832543D+01
      6   0.794609D+01  0.842085D+01  0.135151D+02  0.451350D+01  0.927700D+01
               171           172           173           174           175 
      1  -0.758879D+01 -0.111506D+00 -0.134818D+01 -0.484181D-01 -0.490775D+00
      2  -0.175819D+02 -0.904368D-02 -0.770757D+00 -0.230507D+01 -0.212705D+01
      3   0.251707D+02  0.120549D+00  0.211893D+01  0.235349D+01  0.261783D+01
      4   0.621875D+01 -0.536394D+01  0.885126D+01 -0.402402D+01  0.110009D+02
      5   0.244198D+02  0.517744D+01 -0.535047D+01  0.824136D+01 -0.706878D+01
      6   0.104506D+02 -0.474971D+01  0.581307D+01 -0.282390D+01  0.851829D+01
               176           177           178           179           180 
      1  -0.159507D+02  0.122573D+02 -0.107259D+01  0.713491D+01 -0.696009D+01
      2   0.173426D+02 -0.436894D+01 -0.158407D+01 -0.134934D+01 -0.101449D+01
      3  -0.139195D+01 -0.788837D+01  0.265667D+01 -0.578557D+01  0.797458D+01
      4  -0.219239D+02  0.116445D+02 -0.180319D+01  0.564041D+01 -0.510756D+01
      5   0.132207D+02 -0.992442D+01  0.610352D+01 -0.492766D+01  0.767559D+01
      6  -0.310360D+02  0.222098D+02 -0.274958D+01  0.139663D+02 -0.111587D+02
               181           182           183           184           185 
      1   0.106615D+02  0.266283D+01 -0.956763D+01  0.600007D+01  0.316653D+01
      2  -0.828110D+01 -0.188326D+01  0.698611D+01 -0.431361D+01 -0.111311D+01
      3  -0.238036D+01 -0.779567D+00  0.258151D+01 -0.168646D+01 -0.205342D+01
      4   0.179646D+01  0.418568D+01  0.431968D+00  0.779016D+01 -0.133755D+01
      5  -0.115904D+02 -0.388409D+00  0.154715D+02 -0.180550D+01 -0.372003D+01
      6   0.658796D+00 -0.287392D+00 -0.101823D+01 -0.127290D+01 -0.682466D+00
               186           187           188           189           190 
      1  -0.262898D+00 -0.187028D+02  0.652300D+00  0.959739D+01  0.158477D+02
      2   0.116710D+01  0.142859D+02  0.848363D+00 -0.186561D+02 -0.374637D+01
      3  -0.904203D+00  0.441698D+01 -0.150066D+01  0.905871D+01 -0.121014D+02
      4  -0.399461D+01  0.178073D+01 -0.631129D+01  0.264056D+01 -0.153743D+02
      5   0.589865D+01  0.260647D+02  0.335770D+01 -0.472073D+02  0.410953D+01
      6   0.392785D+01 -0.203825D+01  0.354209D+01  0.429557D+01 -0.905052D+00
               191           192           193           194           195 
      1  -0.103650D+02  0.396842D+01 -0.206139D+02  0.916113D+01  0.355623D+00
      2   0.133843D+01 -0.133451D+01  0.286711D+00  0.159921D+02 -0.263204D+01
      3   0.902662D+01 -0.263392D+01  0.203272D+02 -0.251533D+02  0.227641D+01
      4   0.191894D+02 -0.233772D+01  0.373761D+02 -0.547181D+02  0.900325D+01
      5  -0.169681D+01  0.501384D+01 -0.220324D+01  0.760028D+01 -0.880402D+01
      6   0.663394D+00 -0.577044D+00  0.137604D+01 -0.245357D+01  0.603938D+01
               196           197           198           199           200 
      1   0.882720D+01 -0.665129D+00  0.378058D+01  0.495570D+02  0.161348D+02
      2  -0.283042D+01 -0.191759D+01 -0.125818D+01 -0.257572D+02 -0.882544D+01
      3  -0.599678D+01  0.258272D+01 -0.252241D+01 -0.237998D+02 -0.730933D+01
      4  -0.563003D+01  0.105428D+02 -0.677451D+01  0.164469D+02  0.146337D+02
      5   0.986861D+01 -0.674811D+01  0.249667D+01  0.175914D+02  0.656534D+01
      6  -0.320947D+01  0.573693D+01 -0.259696D+01  0.100626D+01  0.680057D+00
               201           202           203           204           205 
      1   0.159828D+02  0.330504D+02  0.151153D+02  0.831945D+01  0.292782D+02
      2  -0.881859D+01 -0.170040D+02 -0.436470D+01 -0.510537D+01 -0.163463D+02
      3  -0.716416D+01 -0.160464D+02 -0.107506D+02 -0.321408D+01 -0.129318D+02
      4   0.641628D+01  0.233497D+02  0.150006D+02  0.107038D+02  0.844802D+01
      5   0.142493D+02  0.106998D+02  0.974928D+01  0.125509D+02  0.211835D+02
      6   0.910919D-01  0.211309D+01  0.180862D+01  0.257003D+01  0.137151D+01
               206           207           208           209           210 
      1   0.687272D+01  0.139768D+02 -0.140422D+01  0.158188D+01 -0.192731D+01
      2  -0.472079D+01 -0.111845D+02  0.328050D+01 -0.183750D+01  0.611712D+00
      3  -0.215193D+01 -0.279226D+01 -0.187628D+01  0.255619D+00  0.131559D+01
      4   0.119062D+02  0.838468D+01  0.990004D+00  0.736357D+01 -0.687558D+00
      5   0.864457D+01  0.150284D+02 -0.139146D+01  0.266579D+00  0.299718D+01
      6   0.218278D+01  0.219359D+01 -0.205567D+01  0.685969D+00  0.830812D+00
               211           212           213           214           215 
      1  -0.780704D+00 -0.253585D+02  0.400971D+01 -0.207599D+01  0.115179D+02
      2   0.257687D+01  0.414087D+02 -0.852927D+01 -0.102496D+01 -0.200189D+02
      3  -0.179616D+01 -0.160503D+02  0.451957D+01  0.310096D+01  0.850098D+01
      4   0.630194D+01  0.144069D+02 -0.205455D+01 -0.275611D+01 -0.643679D+01
      5   0.988483D-01 -0.168720D+01  0.269757D+01  0.322386D+01  0.435138D+01
      6  -0.411762D+00 -0.770773D+01  0.722731D+01  0.223242D+01  0.129163D+02
               216           217           218           219           220 
      1  -0.595482D+01  0.294373D+01 -0.281286D+01 -0.180250D+01 -0.296891D+01
      2   0.602706D+01 -0.437890D+01 -0.269553D-01 -0.265871D+01  0.198968D+01
      3  -0.722496D-01  0.143517D+01  0.283981D+01  0.446121D+01  0.979229D+00
      4   0.500626D+01  0.744058D+01  0.998735D+01  0.926189D+01  0.587488D+01
      5  -0.744583D+00  0.107593D+02  0.838453D+01  0.123293D+02  0.390580D+01
      6  -0.423078D+01  0.725773D+01  0.863582D+01  0.823325D+01  0.547041D+01
               221           222           223           224           225 
      1  -0.111704D+02 -0.697005D+01 -0.208871D+01 -0.110377D+02 -0.176818D+02
      2   0.870897D+01  0.258028D+01 -0.223336D+01 -0.977392D+00 -0.586283D+01
      3   0.246139D+01  0.438977D+01  0.432207D+01  0.120151D+02  0.235446D+02
      4   0.106138D+02  0.784198D+01  0.904050D+01  0.108743D+02  0.144267D+02
      5   0.803268D+01  0.720230D+01  0.121023D+02  0.133833D+02  0.211859D+02
      6   0.124054D+02  0.140299D+02  0.912175D+01  0.212266D+02  0.257278D+02
               226           227           228           229           230 
      1   0.182573D+02 -0.940572D+01 -0.382629D+01 -0.685105D+01 -0.368653D+01
      2  -0.394121D+01 -0.110695D+00  0.156613D+01 -0.241762D+01  0.140186D+02
      3  -0.143161D+02  0.951642D+01  0.226016D+01  0.926867D+01 -0.103321D+02
      4  -0.285773D+02  0.235688D+02  0.106333D+02  0.202347D+02 -0.279801D+02
      5  -0.106624D+02  0.849708D+01  0.915481D+01  0.574947D+01 -0.815734D+01
      6   0.640685D+01 -0.692346D+01 -0.556742D+01 -0.546444D+01  0.963615D+01
               231           232           233           234 
      1  -0.142826D+01 -0.418902D+01  0.886314D+00  0.246514D+01
      2   0.308858D+01  0.161994D+01  0.423151D+01 -0.119043D+01
      3  -0.166032D+01  0.256908D+01 -0.511782D+01 -0.127472D+01
      4  -0.998006D+01  0.121065D+02 -0.151302D+02 -0.724741D+01
      5  -0.581206D+01  0.966873D+01 -0.481160D+01 -0.704739D+01
      6   0.668414D+01 -0.663620D+01  0.452350D+01  0.583560D+01
 Leave Link  716 at Fri Jul 16 13:46:15 2021, MaxMem=  5637144576 cpu:               4.4 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131577D+03  0.446147D+01  0.494558D+00
      2   0.446147D+01  0.120411D+03  0.247262D+01
      3   0.494558D+00  0.247262D+01  0.100763D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.119735D+01  0.877769D-01  0.344388D+01
      2   0.934923D+01 -0.824622D+01  0.105720D+02
      3   0.191480D+02  0.294078D+02  0.660937D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.205307D+02 -0.515668D+02  0.810558D+01
      2   0.118783D+01  0.502785D+02 -0.128339D+02
      3   0.193429D+02  0.128832D+01  0.472827D+01
      4  -0.454515D+02 -0.490185D+02 -0.222484D+02
      5   0.225118D+02 -0.200594D+02  0.342094D+02
      6  -0.104948D+02  0.519826D+01 -0.206692D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.303253D+01 -0.691500D+00 -0.193986D+01  0.182517D+00 -0.210096D+01
      2  -0.691500D+00 -0.467905D+00 -0.138533D+01 -0.210096D+01 -0.460560D+01
      3  -0.193986D+01 -0.138533D+01 -0.437095D+01 -0.425793D-01 -0.133583D+00
                 6             7             8             9            10 
      1  -0.425793D-01 -0.385949D+01 -0.253950D+01 -0.429873D+01 -0.239278D+01
      2  -0.133583D+00 -0.253950D+01  0.195844D+01  0.100251D+01  0.133056D+01
      3   0.160940D+01 -0.429873D+01  0.100251D+01  0.257154D+00 -0.354326D-01
                11            12            13            14            15 
      1   0.133056D+01 -0.354326D-01  0.513735D+00 -0.203984D+01  0.127214D+01
      2  -0.132627D+01  0.316726D+01 -0.203984D+01  0.562539D+01  0.578844D+00
      3   0.316726D+01 -0.278390D+01  0.127214D+01  0.578844D+00  0.431865D+00
                16            17            18            19            20 
      1  -0.372707D+00  0.486533D+01 -0.233193D+01  0.812111D-01 -0.935536D+00
      2   0.486533D+01  0.665134D+00  0.117019D+01 -0.935536D+00 -0.101928D+01
      3  -0.233193D+01  0.117019D+01  0.924491D-01  0.560691D+00  0.131316D+01
                21            22            23            24            25 
      1   0.560691D+00 -0.111249D+01  0.306516D+00  0.104536D+01  0.974544D+00
      2   0.131316D+01  0.306516D+00  0.998416D+01 -0.202359D+00  0.976447D+00
      3   0.170478D+01  0.104536D+01 -0.202359D+00  0.254640D+01  0.307474D+01
                26            27            28            29            30 
      1   0.976447D+00  0.307474D+01 -0.549729D+01 -0.306965D+01 -0.359232D+00
      2  -0.858965D+00  0.502075D+01 -0.306965D+01 -0.336094D+01 -0.871320D+00
      3   0.502075D+01  0.376849D+01 -0.359232D+00 -0.871320D+00 -0.109420D+01
                31            32            33            34            35 
      1  -0.425457D+01 -0.631779D+01 -0.189705D+01 -0.960141D+00 -0.163392D+01
      2  -0.631779D+01 -0.178329D+02 -0.836591D+00 -0.163392D+01 -0.158637D+01
      3  -0.189705D+01 -0.836591D+00 -0.332400D+01 -0.259110D+01 -0.316465D+01
                36            37            38            39            40 
      1  -0.259110D+01  0.366996D+01  0.923041D+00  0.887329D+00  0.346549D-01
      2  -0.316465D+01  0.923041D+00  0.428996D+01  0.267131D+01  0.640409D+01
      3  -0.164931D+01  0.887329D+00  0.267131D+01  0.202890D+01  0.217383D+01
                41            42            43            44            45 
      1   0.640409D+01  0.217383D+01  0.133961D+01  0.249287D+01  0.431001D+01
      2   0.532162D+01 -0.305015D+01  0.249287D+01 -0.330271D+01  0.435491D+01
      3  -0.305015D+01  0.253968D+01  0.431001D+01  0.435491D+01  0.131707D+01
                46            47            48            49            50 
      1   0.570257D+01  0.213789D+01 -0.496621D+00  0.398666D+01  0.733570D+01
      2   0.213789D+01  0.700897D+01  0.269566D+01  0.733570D+01  0.147887D+02
      3  -0.496621D+00  0.269566D+01  0.160794D+01  0.238840D+01 -0.650356D+00
                51            52            53            54            55 
      1   0.238840D+01  0.161305D+00  0.330034D+01  0.190857D+01 -0.162040D+01
      2  -0.650356D+00  0.330034D+01 -0.128685D+01  0.353290D+01 -0.173834D+01
      3   0.251954D+01  0.190857D+01  0.353290D+01  0.192184D+01 -0.603957D+00
                56            57            58            59            60 
      1  -0.173834D+01 -0.603957D+00 -0.190925D+01 -0.383396D+01 -0.159111D+01
      2  -0.370354D+01 -0.238117D+01 -0.383396D+01 -0.934433D+01  0.125437D+01
      3  -0.238117D+01 -0.821242D+00 -0.159111D+01  0.125437D+01 -0.292664D+01
                61            62            63            64            65 
      1  -0.649040D+00 -0.220292D+01 -0.126914D+01  0.336495D+01  0.128761D-01
      2  -0.220292D+01  0.140212D+01 -0.595310D+01  0.128761D-01  0.128934D+01
      3  -0.126914D+01 -0.595310D+01 -0.175905D+01  0.393226D+01 -0.684765D+00
                66            67            68            69            70 
      1   0.393226D+01  0.751124D-01  0.529383D+01 -0.696285D-01  0.685208D+01
      2  -0.684765D+00  0.529383D+01 -0.413616D+01  0.266152D+01 -0.810206D+00
      3   0.425480D+01 -0.696285D-01  0.266152D+01  0.222275D+00  0.490366D+01
                71            72            73            74            75 
      1  -0.810206D+00  0.490366D+01  0.183729D+01 -0.132866D+01 -0.148034D+01
      2   0.195128D+01  0.666473D-01 -0.132866D+01  0.871039D+00  0.934688D+00
      3   0.666473D-01 -0.156541D+00 -0.148034D+01  0.934688D+00  0.258039D+01
                76            77            78            79            80 
      1  -0.128665D+01  0.530875D+00  0.544052D+00 -0.189260D+01  0.985818D+00
      2   0.530875D+00 -0.167163D+01 -0.207637D+01  0.985818D+00 -0.220324D+01
      3   0.544052D+00 -0.207637D+01 -0.275450D+01  0.209969D+01 -0.285683D+01
                81            82            83            84            85 
      1   0.209969D+01  0.364814D+01  0.179501D+01 -0.183873D+01  0.162834D+01
      2  -0.285683D+01  0.179501D+01  0.187974D+01 -0.179441D+01  0.130998D+01
      3  -0.633131D+01 -0.183873D+01 -0.179441D+01  0.243376D+01 -0.133345D+01
                86            87            88            89            90 
      1   0.130998D+01 -0.133345D+01 -0.245605D+01 -0.178858D+01  0.220845D+01
      2   0.330736D+01 -0.205562D+01 -0.178858D+01 -0.219724D+01  0.213839D+01
      3  -0.205562D+01  0.175781D+01  0.220845D+01  0.213839D+01 -0.337107D+01
                91            92            93            94            95 
      1  -0.464420D+01 -0.196525D+01 -0.221907D+01 -0.267595D+01 -0.301975D+01
      2  -0.196525D+01 -0.147614D+01 -0.120013D+01 -0.301975D+01 -0.311707D+01
      3  -0.221907D+01 -0.120013D+01 -0.181949D+01 -0.118210D+01 -0.112392D+01
                96            97            98            99           100 
      1  -0.118210D+01 -0.534222D+01 -0.286274D+01 -0.340908D+01 -0.587106D+01
      2  -0.112392D+01 -0.286274D+01 -0.225108D+01 -0.275428D+01  0.191727D+01
      3  -0.168297D+01 -0.340908D+01 -0.275428D+01 -0.440735D+01  0.154432D+01
               101           102           103           104           105 
      1   0.191727D+01  0.154432D+01  0.485193D+01 -0.204355D+01 -0.145015D+01
      2  -0.129106D+01 -0.686518D+00 -0.204355D+01  0.191604D+01  0.967113D+00
      3  -0.686518D+00 -0.130792D+01 -0.145015D+01  0.967113D+00  0.102119D+01
               106           107           108           109           110 
      1   0.243468D+01 -0.861974D+00 -0.198035D+01 -0.474527D+00 -0.825236D+00
      2  -0.861974D+00  0.921993D+00  0.403965D+00 -0.825236D+00  0.294353D-01
      3  -0.198035D+01  0.403965D+00  0.136530D+01  0.448892D+00 -0.281731D+00
               111           112           113           114           115 
      1   0.448892D+00 -0.316055D+01 -0.322845D+01  0.888489D+00  0.187587D+01
      2  -0.281731D+00 -0.322845D+01 -0.697232D+01  0.320072D+01  0.116106D+01
      3  -0.228596D+00  0.888489D+00  0.320072D+01 -0.250058D+01 -0.188200D+01
               116           117           118           119           120 
      1   0.116106D+01 -0.188200D+01  0.183279D+01  0.142542D+01  0.129566D+01
      2   0.380449D+01 -0.335091D+01  0.142542D+01  0.194796D+01  0.131340D+01
      3  -0.335091D+01  0.295048D+01  0.129566D+01  0.131340D+01  0.114192D+01
               121           122           123           124           125 
      1   0.145040D+01  0.186612D+01  0.702063D+00  0.268913D+01  0.157266D+01
      2   0.186612D+01  0.609234D+01  0.225201D+01  0.157266D+01  0.482435D+01
      3   0.702063D+00  0.225201D+01  0.197494D+01  0.138532D+01  0.434994D+01
               126           127           128           129           130 
      1   0.138532D+01 -0.318540D+00  0.119682D+01 -0.670988D+00  0.190554D+01
      2   0.434994D+01  0.119682D+01 -0.962826D+00  0.674151D+00  0.783583D+00
      3   0.438918D+01 -0.670988D+00  0.674151D+00 -0.126733D+00  0.137003D+00
               131           132           133           134           135 
      1   0.783583D+00  0.137003D+00 -0.149144D+01  0.240633D+00  0.297011D+00
      2   0.106213D+02 -0.346998D+01  0.240633D+00 -0.530839D+01  0.389662D+01
      3  -0.346998D+01  0.212948D+01  0.297011D+00  0.389662D+01 -0.238677D+01
               136           137           138           139           140 
      1   0.555818D+01 -0.196998D+01 -0.240918D+01 -0.235089D+01 -0.302270D+01
      2  -0.196998D+01 -0.179165D+01 -0.742009D+00 -0.302270D+01  0.473297D+01
      3  -0.240918D+01 -0.742009D+00 -0.291922D+01 -0.826087D+00 -0.478210D+01
               141           142           143           144           145 
      1  -0.826087D+00 -0.311907D+01 -0.405202D+00 -0.339676D+01 -0.837119D+00
      2  -0.478210D+01 -0.405202D+00 -0.331686D+01 -0.121149D+01 -0.155236D+01
      3  -0.167349D+01 -0.339676D+01 -0.121149D+01 -0.156715D+00 -0.286225D+01
               146           147           148           149           150 
      1  -0.155236D+01 -0.286225D+01 -0.193913D+01 -0.565412D+01 -0.649938D+00
      2  -0.319957D+01 -0.429222D+00 -0.565412D+01  0.524180D+01 -0.242451D+01
      3  -0.429222D+00 -0.249976D+01 -0.649938D+00 -0.242451D+01 -0.176401D+01
               151           152           153           154           155 
      1  -0.331254D+01 -0.638063D+00 -0.380749D+01 -0.747009D+01  0.109207D+01
      2  -0.638063D+00 -0.267436D+01 -0.161002D+01  0.109207D+01 -0.694526D+00
      3  -0.380749D+01 -0.161002D+01  0.511520D+01  0.791011D+00  0.383840D+00
               156           157           158           159           160 
      1   0.791011D+00  0.146521D+01 -0.337424D+00  0.242167D+00  0.902264D+00
      2   0.383840D+00 -0.337424D+00 -0.231759D+00  0.653464D+00  0.132729D+00
      3  -0.237661D+01  0.242167D+00  0.653464D+00  0.714479D+00 -0.114316D+01
               161           162           163           164           165 
      1   0.132729D+00 -0.114316D+01  0.251375D+01  0.126254D+01  0.260118D+01
      2   0.541568D+00  0.333627D+00  0.126254D+01  0.122548D+01  0.963734D+00
      3   0.333627D+00  0.993539D+00  0.260118D+01  0.963734D+00  0.349284D+01
               166           167           168           169           170 
      1   0.199672D+01  0.151666D+01  0.163281D+01  0.184794D+01  0.810141D+00
      2   0.151666D+01  0.148581D+01  0.235399D+01  0.810141D+00  0.145476D+01
      3   0.163281D+01  0.235399D+01  0.362141D+01  0.256044D+01  0.177159D+01
               171           172           173           174           175 
      1   0.256044D+01  0.649891D+00 -0.111084D+01  0.111743D+01 -0.141402D+01
      2   0.177159D+01 -0.111084D+01  0.128268D+01 -0.513283D+00  0.191216D+01
      3   0.518386D+01  0.111743D+01 -0.513283D+00  0.119828D+01 -0.866500D+00
               176           177           178           179           180 
      1   0.191216D+01 -0.866500D+00  0.535914D+00 -0.329035D+00  0.906383D+00
      2  -0.677387D+01  0.383543D+01 -0.329035D+00  0.186809D+01 -0.170480D+01
      3   0.383543D+01 -0.332127D+01  0.906383D+00 -0.170480D+01  0.214279D+01
               181           182           183           184           185 
      1   0.137142D+01  0.356148D+00 -0.140519D+01  0.824836D+00  0.961554D+00
      2   0.356148D+00  0.474981D+00  0.711582D-02  0.961554D+00 -0.200570D+00
      3  -0.140519D+01  0.711582D-02  0.152974D+01 -0.206502D+00 -0.577183D+00
               186           187           188           189           190 
      1  -0.206502D+00 -0.323931D+01  0.111362D+00  0.314794D+01  0.241914D+01
      2  -0.577183D+00  0.111362D+00 -0.809836D+00  0.509059D+00 -0.174942D+01
      3   0.866120D+00  0.314794D+01  0.509059D+00 -0.686254D+01  0.633639D+00
               191           192           193           194           195 
      1  -0.174942D+01  0.633639D+00 -0.439484D+01  0.453230D+01 -0.416555D+00
      2   0.176821D+01 -0.238277D+00  0.453230D+01 -0.754316D+01  0.127328D+01
      3  -0.238277D+00  0.407761D+00 -0.416555D+00  0.127328D+01 -0.114793D+01
               196           197           198           199           200 
      1   0.161025D+01 -0.692838D+00  0.123379D+01  0.630473D+01  0.195578D+01
      2  -0.692838D+00  0.142392D+01 -0.990792D+00  0.195578D+01  0.153446D+01
      3   0.123379D+01 -0.990792D+00  0.376609D+00  0.213891D+01  0.775794D+00
               201           202           203           204           205 
      1   0.213891D+01  0.473031D+01  0.277323D+01  0.134134D+01  0.441094D+01
      2   0.775794D+00  0.277323D+01  0.176631D+01  0.137087D+01  0.103204D+01
      3   0.150216D+01  0.134134D+01  0.137087D+01  0.159579D+01  0.253263D+01
               206           207           208           209           210 
      1   0.103204D+01  0.253263D+01  0.117683D+00 -0.986298D+00  0.414480D+00
      2   0.146089D+01  0.112450D+01 -0.986298D+00 -0.226406D-02 -0.368879D+00
      3   0.112450D+01  0.184216D+01  0.414480D+00 -0.368879D+00 -0.187892D+00
               211           212           213           214           215 
      1  -0.168973D+01 -0.518779D+00  0.100929D+00  0.158040D+01  0.179475D+00
      2  -0.518779D+00 -0.943408D+01  0.155565D+01  0.179475D+00  0.423405D+01
      3   0.100929D+00  0.155565D+01 -0.133242D+01 -0.582497D+00 -0.252780D+01
               216           217           218           219           220 
      1  -0.582497D+00 -0.187999D+01 -0.982759D+00 -0.182987D+01 -0.629568D+00
      2  -0.252780D+01 -0.982759D+00 -0.171573D+01 -0.176266D+01 -0.985745D+00
      3   0.888695D+00 -0.182987D+01 -0.176266D+01 -0.206633D+01 -0.832161D+00
               221           222           223           224           225 
      1  -0.985745D+00 -0.832161D+00 -0.269585D+01 -0.134357D+01 -0.221848D+01
      2  -0.392304D+01 -0.233407D+01 -0.134357D+01 -0.306072D+01 -0.432544D+01
      3  -0.233407D+01 -0.229685D+01 -0.221848D+01 -0.432544D+01 -0.662889D+01
               226           227           228           229           230 
      1  -0.503318D+01  0.350039D+01  0.178490D+01  0.317168D+01 -0.242353D+01
      2   0.350039D+01 -0.259056D+01 -0.156039D+01 -0.242353D+01  0.490256D+01
      3   0.178490D+01 -0.156039D+01 -0.128041D+01 -0.110477D+01  0.175952D+01
               231           232           233           234 
      1  -0.110477D+01  0.217552D+01 -0.175235D+01 -0.165791D+01
      2   0.175952D+01 -0.175235D+01  0.234554D+01  0.774521D+00
      3   0.117428D+01 -0.165791D+01  0.774521D+00  0.110472D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.878609D+00  0.721411D+00 -0.120772D+01  0.118950D+01  0.105113D+02
      2  -0.377363D+01 -0.381658D+00 -0.358581D+01 -0.588499D+00 -0.436492D+01
      3   0.124587D+01 -0.322515D+01  0.220063D+01  0.769654D+01  0.898844D+01
                 6             7             8             9            10 
      1  -0.125554D+01  0.142895D+01  0.182531D+01  0.572910D+00 -0.134312D+01
      2   0.235602D+00 -0.139277D+02 -0.354846D+01 -0.602623D+01 -0.197027D+01
      3   0.336599D+01  0.718395D+01 -0.337799D+00  0.425181D+01 -0.227840D+01
                11            12            13            14            15 
      1  -0.377896D+01 -0.453340D+00 -0.198165D+01 -0.988225D+01 -0.451657D+01
      2   0.452533D+01 -0.128999D+01  0.267550D+01  0.480559D+00  0.164565D+01
      3  -0.476329D+01 -0.382200D+01  0.892262D+01 -0.130093D+02  0.231583D+01
                16            17            18            19            20 
      1  -0.445971D+01  0.161871D+01 -0.252420D+01  0.138209D+01  0.394453D+01
      2  -0.661914D+01  0.694176D+01 -0.636885D+00 -0.229139D+01 -0.769257D+00
      3  -0.784259D+01  0.369497D+01 -0.542491D+01 -0.138074D+01 -0.463879D+01
                21            22            23            24            25 
      1   0.224070D+01  0.219414D+01 -0.105713D+02  0.479101D+01  0.449774D+01
      2   0.425937D+00 -0.153940D+01 -0.731805D+00 -0.375518D+01 -0.587257D+01
      3   0.341913D+00  0.411500D+01  0.146888D+02 -0.919333D+00  0.183619D+01
                26            27            28            29            30 
      1   0.182955D+02  0.416366D+01 -0.176621D+00 -0.623442D+00 -0.234511D-02
      2  -0.514590D+01 -0.200919D+01 -0.124354D+01  0.593640D+01  0.322967D+01
      3  -0.329116D+01  0.326439D+01 -0.125685D+02 -0.200720D+02 -0.481956D+01
                31            32            33            34            35 
      1  -0.337405D+00 -0.344239D+01 -0.796576D+00  0.129272D+01  0.111401D+02
      2   0.716250D+01  0.366667D+01  0.919208D+01 -0.337109D+01  0.746476D+01
      3  -0.154224D+02 -0.439952D+02 -0.262680D+01 -0.733963D+01 -0.418704D+01
                36            37            38            39            40 
      1   0.220283D+01  0.191390D+01  0.486110D+01  0.412696D+01  0.367370D+01
      2   0.554918D+01 -0.492384D+01 -0.116146D+02 -0.537111D+01 -0.805468D+01
      3  -0.815024D+01 -0.224854D+01  0.126403D+02  0.919245D+01  0.273592D+02
                41            42            43            44            45 
      1  -0.309439D+01  0.171413D+01  0.936647D+01  0.965548D+01  0.258507D+01
      2   0.103806D+02 -0.992572D+01 -0.213291D+02 -0.202633D+02 -0.601616D+01
      3   0.156486D+02 -0.138108D+02  0.648652D+01 -0.164355D+02  0.124353D+02
                46            47            48            49            50 
      1  -0.364251D+00 -0.222589D+01 -0.167693D+01 -0.872912D+00  0.507337D+01
      2  -0.228085D+01 -0.437708D+01 -0.320438D+01 -0.274262D+01 -0.128886D+01
      3   0.573123D+01  0.866307D+01  0.440699D+01  0.207814D+02  0.475194D+02
                51            52            53            54            55 
      1  -0.310455D+01  0.951700D-01  0.136835D+01 -0.856054D+00  0.184820D+01
      2  -0.706398D+01 -0.136523D+02 -0.110915D+02 -0.448695D+01 -0.228007D+01
      3   0.281599D+01  0.650053D+01  0.275491D+01  0.100298D+02 -0.479370D+01
                56            57            58            59            60 
      1   0.635468D+01  0.239527D+01  0.337070D+01 -0.531873D+01  0.680975D+01
      2   0.627593D+00  0.141579D+01  0.573887D+00  0.822358D+00  0.332874D+00
      3  -0.106588D+02 -0.328113D+01 -0.372265D+01 -0.141073D+02 -0.266489D+01
                61            62            63            64            65 
      1   0.638886D+01  0.232535D+02  0.643724D+01  0.229774D+01  0.306391D+01
      2  -0.326881D+01 -0.228192D+01  0.830970D+00  0.145113D+02 -0.322760D+01
      3  -0.583094D+01 -0.549386D+01 -0.556483D+01 -0.262218D+00 -0.905830D+01
                66            67            68            69            70 
      1   0.193910D+01 -0.426946D+01  0.999438D+00 -0.538544D+01  0.514842D+00
      2   0.148534D+02 -0.113240D+00  0.704577D+01  0.126880D+01  0.404876D+01
      3   0.652587D+00 -0.781357D+01  0.825465D+01 -0.566291D+01 -0.674426D+00
                71            72            73            74            75 
      1   0.636061D+01 -0.351276D+00  0.540235D+00 -0.714191D+00  0.123272D+01
      2   0.992746D+00 -0.198326D+01  0.270890D+01 -0.108647D+01  0.123952D+01
      3  -0.561271D+01 -0.205742D+01 -0.433379D+00 -0.117975D+01  0.356846D+00
                76            77            78            79            80 
      1  -0.944653D-01  0.121839D+01 -0.600645D+00  0.705058D+00  0.339003D+01
      2  -0.194647D+01 -0.116631D+01 -0.191429D+01 -0.397684D+01 -0.589395D+00
      3   0.304897D+01  0.604219D+00  0.139496D+01  0.205539D+01  0.219506D+01
                81            82            83            84            85 
      1  -0.157522D+01  0.107962D+01 -0.256819D+00 -0.191565D+01  0.394269D+00
      2  -0.167824D+01  0.229158D+01 -0.643280D+00  0.271650D+01 -0.186600D-01
      3   0.590776D+00  0.354418D+01 -0.192188D+01 -0.169362D+00  0.322469D+01
                86            87            88            89            90 
      1  -0.153661D+01 -0.163032D+01 -0.151340D+01  0.148909D+01  0.290479D+01
      2  -0.106327D+01  0.112536D+01 -0.220784D+01  0.590703D-01 -0.214720D+01
      3  -0.266856D+01  0.874808D+00 -0.180498D+01  0.165385D+01  0.963188D+00
                91            92            93            94            95 
      1  -0.356074D+01 -0.156983D+01 -0.270734D+01 -0.227805D+01 -0.120976D+01
      2   0.796383D+01  0.469984D+01  0.830202D+01  0.452718D+01  0.437274D+01
      3  -0.279934D+01 -0.569268D+01 -0.267175D+01 -0.679507D+01 -0.906641D+01
                96            97            98            99           100 
      1  -0.314983D+01 -0.525519D+01 -0.275260D+01 -0.569618D+01  0.224010D+01
      2   0.691978D+01  0.108836D+02  0.104629D+02  0.171351D+02 -0.409271D+01
      3  -0.276342D+01 -0.395196D+01 -0.612706D+01 -0.690282D+01  0.114912D+02
               101           102           103           104           105 
      1  -0.174431D+01 -0.992604D+00 -0.167597D+01  0.235298D+01 -0.271435D+00
      2   0.217157D+01  0.620064D+01  0.362024D+01 -0.321336D+01 -0.443934D+01
      3  -0.833235D+01 -0.415843D+01 -0.839902D+01  0.102226D+02  0.465141D+01
               106           107           108           109           110 
      1  -0.198450D+01  0.158194D+01  0.725898D+00 -0.286067D+00 -0.937467D+00
      2   0.471335D+01 -0.132580D+01 -0.472148D+01 -0.155418D+01  0.183660D+01
      3  -0.487300D+01  0.526192D+01  0.272070D+01 -0.303894D+01 -0.673725D+00
               111           112           113           114           115 
      1  -0.279296D+00  0.115863D+01  0.115730D+01 -0.397272D+01 -0.274343D+01
      2   0.116790D+01 -0.166147D+01 -0.108784D+02  0.932458D+01  0.414833D+01
      3  -0.125670D+01 -0.672468D+01 -0.229697D+02  0.108999D+02  0.198405D+01
               116           117           118           119           120 
      1  -0.181699D+01  0.313013D+01 -0.447652D+01 -0.343550D+01 -0.386654D+01
      2   0.114470D+02 -0.101467D+02 -0.125375D+01 -0.103984D+01  0.762297D+00
      3   0.141591D+02 -0.104925D+02  0.616764D+01  0.228177D+01  0.377364D+01
               121           122           123           124           125 
      1  -0.122140D+01 -0.526174D+01 -0.642764D+01 -0.394073D+01 -0.977101D+01
      2  -0.448587D+00 -0.964523D+00  0.104811D+00 -0.185252D+01 -0.447831D+00
      3   0.638058D+01  0.690153D+01  0.227358D+01  0.100656D+02  0.515132D+01
               126           127           128           129           130 
      1  -0.130108D+02  0.154429D+01 -0.204917D+01  0.156212D+00  0.510022D+00
      2  -0.931724D+00  0.812773D+00  0.880749D+00  0.100118D+01  0.509791D-01
      3   0.449885D+01 -0.842914D+00  0.110282D+01 -0.127378D+01  0.815253D+01
               131           132           133           134           135 
      1   0.724119D+01 -0.708195D+01 -0.255182D+01 -0.769356D+01  0.619331D+01
      2  -0.957177D+00 -0.749065D-01 -0.173580D+01  0.202224D+00  0.144825D-01
      3   0.563406D+01 -0.421618D+00 -0.445442D+01 -0.435684D+00  0.241552D+01
               136           137           138           139           140 
      1  -0.732197D+01 -0.439862D+01 -0.320418D+01 -0.733848D+01  0.812044D+01
      2  -0.188902D+02  0.317737D+01  0.484007D+01  0.405852D+01 -0.266665D+01
      3   0.720637D-01  0.164694D+01  0.279384D+01  0.894739D+01 -0.644586D+01
               141           142           143           144           145 
      1  -0.148480D+02 -0.275053D+01 -0.728292D+01 -0.367530D+01 -0.158952D+01
      2  -0.558543D+00  0.765852D+00 -0.873927D+00  0.529832D+01 -0.104250D+02
      3   0.826380D+01  0.249529D+01  0.563378D+01  0.364294D+01  0.730523D+01
               146           147           148           149           150 
      1  -0.289167D+00 -0.191021D+01  0.175551D+00 -0.216493D+01 -0.219024D+01
      2  -0.184835D+01 -0.986714D+01 -0.253189D+01 -0.102413D+02 -0.636243D+01
      3   0.128404D+02  0.315110D+01  0.264640D+02 -0.168966D+02  0.948479D+01
               151           152           153           154           155 
      1  -0.289955D+01  0.145273D+01  0.331105D+01  0.454941D+01 -0.275990D+01
      2  -0.194089D+02 -0.519893D+01  0.179668D+02  0.235201D+02 -0.324735D+01
      3   0.379082D+01  0.938140D+01  0.779168D+01  0.310678D+01 -0.122737D+01
               156           157           158           159           160 
      1   0.769361D-01 -0.212464D+01  0.453236D+00  0.213482D+00 -0.626598D+00
      2  -0.104404D+01 -0.435584D+01  0.145316D+01 -0.218059D+00 -0.460070D+01
      3  -0.407598D+00  0.185564D+01  0.842532D-01 -0.540901D+00 -0.280841D+00
               161           162           163           164           165 
      1   0.141403D+01  0.669327D+00  0.391254D+01  0.471409D+01  0.299930D+01
      2   0.293433D+00  0.230827D+01 -0.117187D+01 -0.101507D+01  0.263975D+01
      3   0.326186D+00  0.145688D+00 -0.213213D+01 -0.380826D+01 -0.237540D+01
               166           167           168           169           170 
      1   0.389600D+01  0.552781D+01  0.508118D+01  0.316762D+01  0.608662D+01
      2  -0.290770D+01  0.947710D+00  0.305794D+01 -0.275892D+01  0.693831D+00
      3  -0.136162D+01 -0.348377D+01 -0.405606D+01 -0.142654D+01 -0.334917D+01
               171           172           173           174           175 
      1   0.594197D+01 -0.957447D+00  0.268297D+01  0.588596D+00  0.339566D+01
      2   0.330917D+01  0.784570D+00  0.555720D+00  0.103241D+01  0.289501D+01
      3  -0.364053D+01  0.939655D+00 -0.235815D+01  0.454761D+00  0.112689D+01
               176           177           178           179           180 
      1  -0.132560D+02  0.285942D+01 -0.451525D+00  0.463510D+01 -0.193999D+01
      2   0.301758D+01 -0.431327D+01 -0.141944D+01 -0.146064D+01  0.182368D+01
      3   0.987498D+01 -0.542985D+01 -0.562175D+00 -0.276275D+01  0.213712D+01
               181           182           183           184           185 
      1  -0.894157D+00 -0.545843D+00  0.820810D+00 -0.124217D+00 -0.437666D+00
      2  -0.452552D+01  0.146067D+00  0.624849D+01  0.704530D-01 -0.125859D+01
      3  -0.173493D+01 -0.232269D+01  0.824221D+00 -0.227893D+01 -0.216232D-01
               186           187           188           189           190 
      1  -0.230771D+00  0.140832D+01  0.313562D+01 -0.362561D+01  0.450919D+00
      2   0.319115D+01  0.625155D+01  0.214837D+01 -0.240096D+02  0.230817D+01
      3   0.192555D+01  0.954274D+00  0.390403D+01 -0.332120D+01  0.490013D+01
               191           192           193           194           195 
      1  -0.284968D+00  0.875280D+00 -0.234373D+00  0.130707D+01 -0.367941D+01
      2  -0.118307D+01  0.297538D+01 -0.170067D+01  0.521992D+01 -0.532763D+01
      3  -0.717473D+01  0.628466D+00 -0.105381D+02  0.256622D+02 -0.458045D+01
               196           197           198           199           200 
      1   0.679247D+00  0.150524D+00  0.689247D+00  0.130408D+01  0.823065D+00
      2   0.286095D+01 -0.294366D+01  0.141376D+01  0.788542D+01  0.317479D+01
      3   0.776574D+00 -0.507863D+01  0.248890D+01 -0.101488D+02 -0.856797D+01
               201           202           203           204           205 
      1   0.145610D+00  0.889766D+00  0.109500D+01 -0.787185D+00  0.117582D+01
      2   0.802354D+01  0.476113D+01  0.524708D+01  0.720137D+01  0.714850D+01
      3  -0.410017D+01 -0.101311D+02 -0.862188D+01 -0.571443D+01 -0.526339D+01
               206           207           208           209           210 
      1   0.166459D+01  0.139906D+00  0.245995D+01 -0.100590D+01  0.241060D+00
      2   0.420159D+01  0.737699D+01 -0.758135D+00  0.501448D+00  0.153019D+01
      3  -0.710242D+01 -0.527677D+01 -0.189586D+01  0.351184D+00 -0.149726D+01
               211           212           213           214           215 
      1   0.740925D+00  0.109430D+02 -0.632575D+01 -0.112504D+01 -0.780149D+01
      2  -0.147162D+01 -0.267844D+01  0.158429D+01  0.801033D+00  0.310428D+01
      3   0.584833D+01 -0.114997D+02  0.124483D+01 -0.484350D+01  0.565325D+01
               216           217           218           219           220 
      1   0.512515D+01 -0.228297D+01 -0.185049D+01 -0.284340D+01 -0.313543D+00
      2  -0.198392D+01 -0.288883D+00  0.996075D+00  0.178679D+01 -0.550932D+00
      3  -0.236260D+01  0.286475D+01 -0.277952D+01  0.152086D-01  0.219811D+01
               221           222           223           224           225 
      1   0.333018D+00 -0.303165D+01 -0.145304D+01 -0.333582D+01 -0.812635D+01
      2   0.172812D+01  0.191108D+01 -0.351709D+01  0.351865D+01  0.532538D+01
      3  -0.424489D+01 -0.121867D+01  0.377764D+01 -0.200856D+01 -0.228194D+01
               226           227           228           229           230 
      1  -0.139108D+01  0.130471D+01  0.322100D+01  0.103114D+01 -0.139441D+01
      2  -0.816321D+00  0.244060D+01  0.434954D+01  0.236868D+00 -0.290873D+01
      3  -0.304064D+01 -0.127529D+01 -0.194208D+00  0.285048D+01  0.517842D+01
               231           232           233           234 
      1  -0.256129D+01  0.326461D+01  0.214076D+01 -0.217676D+01
      2  -0.314201D+01  0.211157D+01  0.140919D+01 -0.182218D+01
      3   0.114628D+01  0.124155D+01  0.245248D+01 -0.190096D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.123829D+02 -0.549996D+01 -0.952846D+01 -0.614560D+01 -0.277416D+01
      2   0.913504D+01  0.200380D+01  0.122201D+01  0.132063D+01  0.780920D+01
      3   0.324787D+01  0.349616D+01  0.830645D+01  0.482497D+01 -0.503504D+01
      4   0.149483D+01 -0.236169D+00 -0.269602D+01 -0.209972D+01 -0.319778D+01
      5  -0.154422D-01 -0.493178D+01 -0.978407D+01  0.864541D+00  0.220024D+00
      6  -0.247963D+01  0.797850D+00  0.485973D+01  0.291452D+01  0.293909D+01
                 6             7             8             9            10 
      1   0.689672D+01 -0.201923D+02 -0.132033D+01 -0.255398D+01 -0.621435D+01
      2  -0.170832D+01  0.678259D+01  0.303061D+01  0.642858D+01  0.624151D+01
      3  -0.518840D+01  0.134097D+02 -0.171028D+01 -0.387460D+01 -0.271536D-01
      4  -0.563516D-02 -0.646442D+01  0.711295D+01  0.786065D+01 -0.768929D+00
      5   0.565574D+01 -0.855718D+01  0.648032D+01  0.854426D+01  0.452065D+01
      6  -0.413731D+01  0.799818D+01 -0.366801D+01 -0.720336D+01  0.552467D+01
                11            12            13            14            15 
      1   0.735820D+01 -0.420510D+01  0.770466D+01 -0.107169D+02 -0.636063D+00
      2  -0.689013D+00  0.295315D+01 -0.232427D+01  0.122965D+02  0.202512D+01
      3  -0.666919D+01  0.125195D+01 -0.538039D+01 -0.157959D+01 -0.138905D+01
      4  -0.572171D+01  0.104129D+02 -0.111966D+02  0.756779D+01  0.655598D+01
      5   0.854330D+01 -0.887721D+01  0.279509D+01  0.340083D+01 -0.375140D+01
      6   0.199958D+01 -0.587749D+01  0.624985D+01  0.283270D+01 -0.147023D+01
                16            17            18            19            20 
      1  -0.537392D+01  0.120490D+02 -0.650305D+01  0.955905D+00  0.833145D+01
      2   0.303971D+01 -0.647297D+01  0.672611D+01  0.146185D+01 -0.183738D+01
      3   0.233421D+01 -0.557606D+01 -0.223056D+00 -0.241776D+01 -0.649407D+01
      4   0.174207D+02  0.496250D+01 -0.245142D+01  0.317433D+01  0.738304D+00
      5  -0.847851D+01 -0.338404D+01  0.498798D+01 -0.355252D+01 -0.331762D+01
      6  -0.636946D+01 -0.101204D+01  0.423805D+01 -0.823645D+00 -0.527023D+01
                21            22            23            24            25 
      1   0.613836D+01  0.136525D+02  0.215061D+02 -0.372717D+01  0.709989D+01
      2  -0.122578D+01 -0.771366D+01 -0.258048D+02  0.109920D+02  0.144455D-01
      3  -0.491257D+01 -0.593889D+01  0.429865D+01 -0.726486D+01 -0.711434D+01
      4  -0.555829D+01 -0.997605D+00 -0.180062D+02 -0.553139D+01 -0.587349D+01
      5  -0.750686D+01 -0.484577D+01 -0.525623D+01 -0.976493D+01 -0.962062D+01
      6  -0.710692D+01 -0.378901D+01  0.152526D+01 -0.102217D+02 -0.100496D+02
                26            27            28            29            30 
      1  -0.354777D+01  0.909944D+01  0.209467D+02  0.138027D+02  0.185620D+01
      2   0.208775D+02 -0.115830D+01 -0.151584D+02 -0.742735D+01 -0.235089D+01
      3  -0.173297D+02 -0.794113D+01 -0.578838D+01 -0.637531D+01  0.494691D+00
      4  -0.700667D+01 -0.166333D+02  0.532446D+01  0.210083D+02  0.631205D+01
      5  -0.155874D+02 -0.147924D+02  0.419916D+01  0.461350D+01  0.637313D+01
      6  -0.215685D+02 -0.166520D+02  0.112742D+01 -0.113256D+01 -0.222491D+01
                31            32            33            34            35 
      1   0.155712D+02  0.300089D+02  0.813453D+01  0.756905D+01  0.766808D+01
      2  -0.106129D+02 -0.218014D+02 -0.290631D+01 -0.740141D+01 -0.536416D+01
      3  -0.495830D+01 -0.820755D+01 -0.522822D+01 -0.167637D+00 -0.230392D+01
      4   0.249955D+02  0.520190D+02  0.161973D+01  0.641266D+01  0.312599D+01
      5   0.579439D+01 -0.665194D-02  0.104124D+02  0.163218D+02  0.106608D+02
      6  -0.118184D+01  0.391834D+01  0.335351D+01  0.576139D-03  0.880687D+01
                36            37            38            39            40 
      1   0.756151D+01 -0.216837D+02  0.186846D+01 -0.329729D+01  0.996671D+01
      2  -0.130299D+02  0.162235D+02 -0.226162D+01  0.433382D+00 -0.697957D+01
      3   0.546835D+01  0.546021D+01  0.393154D+00  0.286391D+01 -0.298714D+01
      4   0.792017D+01  0.392423D+01 -0.231101D+02 -0.194349D+02 -0.369396D+02
      5   0.895980D+01 -0.643955D+01 -0.208435D+02 -0.164528D+02 -0.188431D+02
      6  -0.133917D+01 -0.804324D+01 -0.445703D+01 -0.417622D+01  0.261926D+01
                41            42            43            44            45 
      1  -0.252988D+02 -0.238245D+02 -0.107038D+02 -0.292020D+02 -0.192118D+02
      2   0.120055D+02  0.162425D+02  0.536150D+01  0.207241D+02  0.814523D+01
      3   0.132933D+02  0.758200D+01  0.534233D+01  0.847791D+01  0.110665D+02
      4  -0.272004D+02  0.159730D+02 -0.217754D+02  0.148193D+02 -0.271329D+02
      5   0.201447D+02 -0.186524D+02 -0.350130D+02 -0.317316D+02 -0.108266D+02
      6   0.116344D+02 -0.135774D+02 -0.118918D+02 -0.204662D+02 -0.836783D+00
                46            47            48            49            50 
      1  -0.221829D+02 -0.132638D+02 -0.121231D+01 -0.271011D+02 -0.420496D+02
      2   0.131519D+02  0.144016D+02  0.234708D+01  0.242219D+02  0.385215D+02
      3   0.903106D+01 -0.113781D+01 -0.113477D+01  0.287921D+01  0.352815D+01
      4   0.707121D+01 -0.173427D+02 -0.130329D+02 -0.258300D+02 -0.351352D+02
      5   0.101937D+02 -0.102577D+02 -0.372307D+01 -0.846533D+01  0.692985D+01
      6  -0.744375D+01  0.813525D+01  0.332602D+01  0.791094D+01 -0.109309D+02
                51            52            53            54            55 
      1  -0.383626D+01 -0.355845D+01 -0.814080D+01 -0.158043D+02  0.661594D+01
      2   0.177104D+00  0.344562D+01 -0.476930D+01  0.323439D+01 -0.565593D+01
      3   0.365915D+01  0.112824D+00  0.129101D+02  0.125699D+02 -0.960011D+00
      4   0.917008D+01 -0.193402D+02  0.142453D+02 -0.936827D+01  0.414751D+00
      5  -0.806831D+01 -0.185999D+01 -0.923938D+01 -0.136195D+01 -0.405496D+01
      6   0.224699D+01  0.496156D+01  0.158103D+02  0.627250D+00 -0.227016D+01
                56            57            58            59            60 
      1   0.104696D+02  0.792257D+01  0.120885D+02  0.437497D+02 -0.486118D+01
      2  -0.116631D+02 -0.101965D+02 -0.125277D+02 -0.466279D+02  0.980725D+01
      3   0.119350D+01  0.227396D+01  0.439171D+00  0.287821D+01 -0.494608D+01
      4   0.227764D+01  0.175535D+00  0.710337D+01  0.381419D+01 -0.110168D+02
      5  -0.472800D+00 -0.309255D+01  0.143529D+00 -0.700023D+01  0.780496D+00
      6  -0.108880D+02 -0.351370D+01 -0.594095D+01  0.131491D+02 -0.183503D+02
                61            62            63            64            65 
      1   0.832997D+01 -0.736281D+01  0.239572D+02  0.697997D+00  0.369825D+01
      2  -0.777249D+01  0.148369D+02 -0.269425D+02 -0.582828D+01 -0.366454D+01
      3  -0.557476D+00 -0.747414D+01  0.298533D+01  0.513028D+01 -0.337106D-01
      4  -0.142791D+01 -0.141185D+02 -0.280349D+01  0.291547D+01  0.502605D+01
      5  -0.169295D+01 -0.343777D+01 -0.374396D+01  0.122008D+02 -0.810581D+00
      6  -0.100904D+02 -0.385342D+02 -0.714101D+01 -0.179764D+01  0.416954D+01
                66            67            68            69            70 
      1   0.115470D+02  0.599339D+01  0.143135D+02  0.828816D+00  0.209409D+02
      2  -0.912243D+01 -0.420620D+01 -0.905463D+01 -0.219933D+01 -0.141252D+02
      3  -0.242457D+01 -0.178720D+01 -0.525888D+01  0.137051D+01 -0.681574D+01
      4  -0.332988D+01  0.186260D+02 -0.149651D+02  0.778625D+01 -0.502247D+01
      5   0.145076D+02 -0.208456D+00  0.858822D+01  0.214084D+01  0.198898D+02
      6  -0.888339D+00  0.721832D+00 -0.550201D+01  0.338712D+01 -0.281611D+01
                71            72            73            74            75 
      1  -0.200019D+01  0.146501D+02  0.161760D+01  0.498632D+00  0.327933D+01
      2  -0.607556D+00 -0.115581D+02 -0.443900D+01  0.115077D+01  0.378785D+01
      3   0.260775D+01 -0.309201D+01  0.282141D+01 -0.164940D+01 -0.706718D+01
      4   0.561192D+01 -0.110513D+01 -0.685133D+01  0.666653D+01  0.525844D+01
      5   0.744001D+00 -0.221847D+01 -0.838917D+01  0.538836D+01  0.128714D+02
      6   0.452981D+01  0.107979D+01  0.529080D+01 -0.416291D+01 -0.609260D+01
                76            77            78            79            80 
      1   0.786947D+00 -0.902454D+01 -0.887659D+01  0.316301D+01 -0.806015D+01
      2   0.911531D+00  0.341211D+01  0.743752D+00  0.376377D+01 -0.161200D+01
      3  -0.169848D+01  0.561243D+01  0.813284D+01 -0.692678D+01  0.967215D+01
      4   0.419682D+01 -0.473712D+01 -0.574254D+01  0.503781D+01 -0.624984D+01
      5   0.424639D+01 -0.591474D+01 -0.710521D+01  0.966630D+01 -0.775963D+01
      6  -0.330274D+01  0.976500D+01  0.126520D+02 -0.519348D+01  0.124898D+02
                81            82            83            84            85 
      1  -0.187125D+02  0.887071D+01  0.456941D+00 -0.155182D+00 -0.131346D+01
      2  -0.987844D+01 -0.643658D+01  0.547763D+00  0.218510D+01  0.125712D+01
      3   0.285910D+02 -0.243413D+01 -0.100470D+01 -0.202992D+01  0.563331D-01
      4  -0.903201D+01  0.143163D+02  0.129933D+02 -0.100062D+02  0.993613D+01
      5  -0.169723D+02 -0.126692D+02 -0.877513D+01  0.132243D+02 -0.678526D+01
      6   0.184205D+02 -0.860114D+01 -0.783119D+01  0.817128D+01 -0.684548D+01
                86            87            88            89            90 
      1  -0.656032D+01  0.333532D+01 -0.822707D+00  0.286000D+01 -0.571706D+01
      2   0.780257D+01 -0.201996D+01  0.333125D+01 -0.174291D+00 -0.390081D+01
      3  -0.124225D+01 -0.131535D+01 -0.250855D+01 -0.268571D+01  0.961787D+01
      4   0.137615D+02 -0.934666D+01 -0.948545D+01 -0.100213D+02  0.110647D+02
      5  -0.860620D+01  0.677105D+01  0.115087D+02  0.936198D+01 -0.137487D+02
      6  -0.122472D+02  0.110444D+02  0.889424D+01  0.125273D+02 -0.142320D+02
                91            92            93            94            95 
      1   0.353704D+02  0.129268D+02  0.156629D+02  0.148189D+02  0.124948D+02
      2  -0.192458D+02 -0.521060D+01 -0.809700D+01 -0.544310D+01 -0.312349D+01
      3  -0.161246D+02 -0.771616D+01 -0.756587D+01 -0.937579D+01 -0.937128D+01
      4   0.168136D+02  0.137037D+02  0.106934D+02  0.225434D+02  0.216581D+02
      5   0.200375D+02  0.107318D+02  0.176271D+02  0.105575D+02  0.905600D+01
      6   0.638512D+01  0.335127D+01  0.433340D+01  0.437561D+01  0.417885D+01
                96            97            98            99           100 
      1   0.683497D+01  0.349251D+02  0.155558D+02  0.159719D+02  0.499776D+02
      2  -0.214604D+01 -0.200836D+02 -0.776546D+01 -0.124358D+02 -0.289383D+02
      3  -0.468892D+01 -0.148415D+02 -0.779039D+01 -0.353617D+01 -0.210394D+02
      4   0.932249D+01  0.224717D+02  0.175201D+02  0.190212D+02 -0.151896D+02
      5   0.130681D+02  0.309086D+02  0.216297D+02  0.346711D+02 -0.159190D+02
      6   0.785687D+01  0.987133D+01  0.112926D+02  0.109134D+02  0.144835D+01
               101           102           103           104           105 
      1  -0.160274D+02 -0.119738D+02 -0.351921D+02  0.133978D+02  0.936320D+01
      2   0.997597D+01  0.857149D+01  0.202122D+02 -0.693559D+01 -0.725939D+01
      3   0.605144D+01  0.340233D+01  0.149798D+02 -0.646218D+01 -0.210380D+01
      4   0.120966D+02  0.544307D+01  0.184193D+02 -0.166728D+02 -0.742477D+01
      5   0.653241D+01  0.135435D+02  0.129640D+02 -0.796455D+01 -0.940114D+01
      6  -0.533969D+00  0.346412D+00 -0.189543D+01  0.184884D+01  0.290181D+01
               106           107           108           109           110 
      1  -0.174772D+02  0.674673D+01  0.108924D+02  0.389401D+01  0.701433D+01
      2   0.125589D+02 -0.573532D+01 -0.928770D+01 -0.211748D+01 -0.424609D+01
      3   0.491831D+01 -0.101141D+01 -0.160474D+01 -0.177653D+01 -0.276825D+01
      4   0.662498D+01 -0.690020D+01 -0.356006D+01  0.498004D+01  0.507985D+01
      5   0.181736D+02 -0.401000D+01 -0.117569D+02 -0.300577D+01 -0.295789D+00
      6  -0.656930D+00  0.379187D+01  0.115052D+01 -0.203987D+01  0.134075D+01
               111           112           113           114           115 
      1  -0.421173D+01  0.134216D+02 -0.105504D+01  0.531654D+01 -0.783938D+01
      2   0.192393D+01 -0.443231D+01  0.117566D+02 -0.545863D+01  0.441171D+01
      3   0.228780D+01 -0.898934D+01 -0.107015D+02  0.142092D+00  0.342768D+01
      4  -0.659029D+00  0.224369D+02  0.410136D+02 -0.187784D+02 -0.871063D+01
      5   0.467720D+01 -0.793145D+01 -0.212917D+02  0.178455D+02  0.168433D+02
      6   0.419210D+00 -0.686816D+01 -0.188631D+02  0.137264D+02  0.775346D+01
               116           117           118           119           120 
      1   0.668042D+01 -0.848999D+00 -0.305796D+01 -0.653122D+01 -0.466459D+01
      2  -0.606428D+01 -0.211067D+01  0.309548D+01  0.836135D+01  0.465869D+01
      3  -0.616140D+00  0.295967D+01 -0.375267D-01 -0.183012D+01  0.589929D-02
      4  -0.225681D+02  0.195054D+02  0.599394D+01  0.849698D+01  0.518462D+01
      5   0.229565D+02 -0.194253D+02  0.252299D+01  0.356792D+01  0.497643D+01
      6   0.173878D+02 -0.134343D+02  0.737545D+01  0.757457D+01  0.585549D+01
               121           122           123           124           125 
      1  -0.601012D+01 -0.248663D+02 -0.907843D+01 -0.755746D+01 -0.199823D+02
      2   0.772128D+01  0.300095D+02  0.101442D+02  0.614609D+01  0.196784D+02
      3  -0.171116D+01 -0.514327D+01 -0.106580D+01  0.141137D+01  0.303869D+00
      4   0.378077D+01  0.381948D+01  0.366988D+01  0.577915D+01  0.609899D+01
      5   0.169465D+01  0.285888D+01  0.115888D+01  0.531494D+01  0.405702D+01
      6   0.446661D+01  0.147445D+02  0.148271D+02  0.816474D+01  0.282125D+02
               126           127           128           129           130 
      1  -0.198010D+02 -0.152008D+01  0.298740D+01 -0.212400D+01 -0.413701D+01
      2   0.145060D+02  0.463187D+01 -0.590497D+01  0.249158D+01  0.223680D+01
      3   0.529500D+01 -0.311179D+01  0.291757D+01 -0.367583D+00  0.190021D+01
      4   0.447312D+01 -0.381299D+01  0.109426D+02 -0.388247D+01  0.545723D+01
      5   0.318827D+01  0.235490D+01 -0.248234D+01  0.388196D+01 -0.195516D+01
      6   0.239717D+02 -0.445833D+01  0.496098D+01 -0.814921D+00  0.345068D+00
               131           132           133           134           135 
      1  -0.444937D+02  0.144523D+02  0.595455D+00  0.238891D+02 -0.176345D+02
      2   0.613928D+02 -0.185880D+02  0.656067D+00 -0.286161D+02  0.162900D+02
      3  -0.168990D+02  0.413567D+01 -0.125152D+01  0.472695D+01  0.134453D+01
      4  -0.995627D+01  0.441669D+01 -0.364191D+01  0.572764D+01 -0.338374D+01
      5   0.327391D+01 -0.150057D+01  0.327372D+01 -0.181706D+01  0.234716D+01
      6  -0.286079D+02  0.170243D+02  0.237474D+01  0.286301D+02 -0.168983D+02
               136           137           138           139           140 
      1   0.154788D+02 -0.468070D+01 -0.378039D+00 -0.740909D+01  0.690030D+01
      2  -0.577229D+00  0.684537D+01  0.838560D+01  0.112665D+02 -0.208135D+01
      3  -0.149016D+02 -0.216467D+01 -0.800757D+01 -0.385743D+01 -0.481896D+01
      4  -0.861955D+01 -0.329367D+01 -0.201721D+01 -0.978408D+01  0.153090D+02
      5   0.107550D+01 -0.679244D+01 -0.151103D+02 -0.846688D+01 -0.201743D+02
      6  -0.519068D+01 -0.884607D+01 -0.307762D+01 -0.135224D+02  0.200197D+02
               141           142           143           144           145 
      1  -0.452135D+01 -0.103183D+01 -0.228634D+01 -0.100088D+02  0.360841D+01
      2   0.148680D+02  0.796637D+01  0.110562D+02  0.372224D+01 -0.115815D+01
      3  -0.103466D+02 -0.693455D+01 -0.876985D+01  0.628653D+01 -0.245026D+01
      4  -0.164354D+02 -0.791386D+00 -0.105430D+02 -0.367541D+01 -0.157882D+02
      5  -0.903748D+01 -0.202172D+02 -0.621949D+01 -0.108329D+02 -0.200988D+02
      6  -0.193434D+02 -0.237506D+01 -0.151553D+02 -0.811362D+01  0.636950D+00
               146           147           148           149           150 
      1  -0.169345D+02 -0.173330D+02 -0.226348D+02 -0.223964D+02 -0.819321D+01
      2   0.138915D+02  0.703825D+01  0.209228D+02  0.416691D+00  0.695299D+01
      3   0.304291D+01  0.102948D+02  0.171198D+01  0.219798D+02  0.124022D+01
      4  -0.229656D+02 -0.353179D+01 -0.398748D+02  0.355333D+02 -0.172679D+02
      5  -0.382342D+01 -0.186022D+02 -0.588141D+01 -0.156243D+02 -0.121108D+02
      6  -0.200388D+01  0.599435D+00 -0.272138D+01  0.261357D+01 -0.115666D+01
               151           152           153           154           155 
      1  -0.236177D+02 -0.754187D+01 -0.202899D+02 -0.851529D+01  0.145190D-01
      2   0.719523D+01  0.636995D+01  0.173522D+02  0.230334D+01 -0.469316D+00
      3   0.164225D+02  0.117192D+01  0.293769D+01  0.621195D+01  0.454797D+00
      4  -0.473277D+01 -0.181904D+02 -0.958486D+01  0.566248D+01  0.664027D-01
      5  -0.263121D+02 -0.102821D+02  0.315906D+02 -0.147167D+02  0.191255D+01
      6   0.767387D+00  0.118896D+01 -0.375856D+01  0.191367D+01 -0.306368D+01
               156           157           158           159           160 
      1   0.930533D+01  0.146161D+01 -0.235357D+01 -0.139053D+01  0.504413D+01
      2   0.294579D+01 -0.190551D+01  0.108086D+01 -0.230354D+01  0.210989D+01
      3  -0.122511D+02  0.443899D+00  0.127271D+01  0.369406D+01 -0.715402D+01
      4  -0.970889D+00  0.151884D+01 -0.795574D+00  0.139173D+01 -0.840570D+00
      5   0.321858D+01  0.269078D+01  0.785389D+00  0.160718D+01  0.643447D+01
      6   0.183154D+01 -0.131658D+01 -0.936865D+00  0.379608D+01  0.512375D+00
               161           162           163           164           165 
      1  -0.780118D+00 -0.385645D+01  0.720784D+01  0.301128D+01  0.125224D+01
      2  -0.104670D+01 -0.255673D+01 -0.115741D+02 -0.466233D+01 -0.123280D+02
      3   0.182682D+01  0.641318D+01  0.436630D+01  0.165105D+01  0.110758D+02
      4  -0.221782D+00  0.133792D+01  0.604809D+01  0.620444D+01  0.441793D+01
      5   0.464656D+00 -0.392210D+01  0.182570D+02  0.770802D+01  0.215537D+02
      6   0.277534D+01  0.116363D+01  0.582648D+01  0.659230D+01  0.486162D+01
               166           167           168           169           170 
      1   0.415761D+01 -0.233243D+01 -0.414647D+01  0.201261D+00 -0.223438D+01
      2  -0.696792D+01 -0.252038D+01 -0.102669D+02 -0.961686D+01 -0.608980D+01
      3   0.281031D+01  0.485281D+01  0.144134D+02  0.941560D+01  0.832418D+01
      4   0.735698D+01  0.657017D+01  0.897387D+01  0.317323D+01  0.550980D+01
      5   0.122555D+02  0.115427D+02  0.161432D+02  0.167783D+02  0.832543D+01
      6   0.794609D+01  0.842085D+01  0.135151D+02  0.451350D+01  0.927700D+01
               171           172           173           174           175 
      1  -0.758879D+01 -0.111506D+00 -0.134818D+01 -0.484181D-01 -0.490775D+00
      2  -0.175819D+02 -0.904368D-02 -0.770757D+00 -0.230507D+01 -0.212705D+01
      3   0.251707D+02  0.120549D+00  0.211893D+01  0.235349D+01  0.261783D+01
      4   0.621875D+01 -0.536394D+01  0.885126D+01 -0.402402D+01  0.110009D+02
      5   0.244198D+02  0.517744D+01 -0.535047D+01  0.824136D+01 -0.706878D+01
      6   0.104506D+02 -0.474971D+01  0.581307D+01 -0.282390D+01  0.851829D+01
               176           177           178           179           180 
      1  -0.159507D+02  0.122573D+02 -0.107259D+01  0.713491D+01 -0.696009D+01
      2   0.173426D+02 -0.436894D+01 -0.158407D+01 -0.134934D+01 -0.101449D+01
      3  -0.139195D+01 -0.788837D+01  0.265667D+01 -0.578557D+01  0.797458D+01
      4  -0.219239D+02  0.116445D+02 -0.180319D+01  0.564041D+01 -0.510756D+01
      5   0.132207D+02 -0.992442D+01  0.610352D+01 -0.492766D+01  0.767559D+01
      6  -0.310360D+02  0.222098D+02 -0.274958D+01  0.139663D+02 -0.111587D+02
               181           182           183           184           185 
      1   0.106615D+02  0.266283D+01 -0.956763D+01  0.600007D+01  0.316653D+01
      2  -0.828110D+01 -0.188326D+01  0.698611D+01 -0.431361D+01 -0.111311D+01
      3  -0.238036D+01 -0.779567D+00  0.258151D+01 -0.168646D+01 -0.205342D+01
      4   0.179646D+01  0.418568D+01  0.431968D+00  0.779016D+01 -0.133755D+01
      5  -0.115904D+02 -0.388409D+00  0.154715D+02 -0.180550D+01 -0.372003D+01
      6   0.658796D+00 -0.287392D+00 -0.101823D+01 -0.127290D+01 -0.682466D+00
               186           187           188           189           190 
      1  -0.262898D+00 -0.187028D+02  0.652300D+00  0.959739D+01  0.158477D+02
      2   0.116710D+01  0.142859D+02  0.848363D+00 -0.186561D+02 -0.374637D+01
      3  -0.904203D+00  0.441698D+01 -0.150066D+01  0.905871D+01 -0.121014D+02
      4  -0.399461D+01  0.178073D+01 -0.631129D+01  0.264056D+01 -0.153743D+02
      5   0.589865D+01  0.260647D+02  0.335770D+01 -0.472073D+02  0.410953D+01
      6   0.392785D+01 -0.203825D+01  0.354209D+01  0.429557D+01 -0.905052D+00
               191           192           193           194           195 
      1  -0.103650D+02  0.396842D+01 -0.206139D+02  0.916113D+01  0.355623D+00
      2   0.133843D+01 -0.133451D+01  0.286711D+00  0.159921D+02 -0.263204D+01
      3   0.902662D+01 -0.263392D+01  0.203272D+02 -0.251533D+02  0.227641D+01
      4   0.191894D+02 -0.233772D+01  0.373761D+02 -0.547181D+02  0.900325D+01
      5  -0.169681D+01  0.501384D+01 -0.220324D+01  0.760028D+01 -0.880402D+01
      6   0.663394D+00 -0.577044D+00  0.137604D+01 -0.245357D+01  0.603938D+01
               196           197           198           199           200 
      1   0.882720D+01 -0.665129D+00  0.378058D+01  0.495570D+02  0.161348D+02
      2  -0.283042D+01 -0.191759D+01 -0.125818D+01 -0.257572D+02 -0.882544D+01
      3  -0.599678D+01  0.258272D+01 -0.252241D+01 -0.237998D+02 -0.730933D+01
      4  -0.563003D+01  0.105428D+02 -0.677451D+01  0.164469D+02  0.146337D+02
      5   0.986861D+01 -0.674811D+01  0.249667D+01  0.175914D+02  0.656534D+01
      6  -0.320947D+01  0.573693D+01 -0.259696D+01  0.100626D+01  0.680057D+00
               201           202           203           204           205 
      1   0.159828D+02  0.330504D+02  0.151153D+02  0.831945D+01  0.292782D+02
      2  -0.881859D+01 -0.170040D+02 -0.436470D+01 -0.510537D+01 -0.163463D+02
      3  -0.716416D+01 -0.160464D+02 -0.107506D+02 -0.321408D+01 -0.129318D+02
      4   0.641628D+01  0.233497D+02  0.150006D+02  0.107038D+02  0.844802D+01
      5   0.142493D+02  0.106998D+02  0.974928D+01  0.125509D+02  0.211835D+02
      6   0.910919D-01  0.211309D+01  0.180862D+01  0.257003D+01  0.137151D+01
               206           207           208           209           210 
      1   0.687272D+01  0.139768D+02 -0.140422D+01  0.158188D+01 -0.192731D+01
      2  -0.472079D+01 -0.111845D+02  0.328050D+01 -0.183750D+01  0.611712D+00
      3  -0.215193D+01 -0.279226D+01 -0.187628D+01  0.255619D+00  0.131559D+01
      4   0.119062D+02  0.838468D+01  0.990004D+00  0.736357D+01 -0.687558D+00
      5   0.864457D+01  0.150284D+02 -0.139146D+01  0.266579D+00  0.299718D+01
      6   0.218278D+01  0.219359D+01 -0.205567D+01  0.685969D+00  0.830812D+00
               211           212           213           214           215 
      1  -0.780704D+00 -0.253585D+02  0.400971D+01 -0.207599D+01  0.115179D+02
      2   0.257687D+01  0.414087D+02 -0.852927D+01 -0.102496D+01 -0.200189D+02
      3  -0.179616D+01 -0.160503D+02  0.451957D+01  0.310096D+01  0.850098D+01
      4   0.630194D+01  0.144069D+02 -0.205455D+01 -0.275611D+01 -0.643679D+01
      5   0.988483D-01 -0.168720D+01  0.269757D+01  0.322386D+01  0.435138D+01
      6  -0.411762D+00 -0.770773D+01  0.722731D+01  0.223242D+01  0.129163D+02
               216           217           218           219           220 
      1  -0.595482D+01  0.294373D+01 -0.281286D+01 -0.180250D+01 -0.296891D+01
      2   0.602706D+01 -0.437890D+01 -0.269553D-01 -0.265871D+01  0.198968D+01
      3  -0.722496D-01  0.143517D+01  0.283981D+01  0.446121D+01  0.979229D+00
      4   0.500626D+01  0.744058D+01  0.998735D+01  0.926189D+01  0.587488D+01
      5  -0.744583D+00  0.107593D+02  0.838453D+01  0.123293D+02  0.390580D+01
      6  -0.423078D+01  0.725773D+01  0.863582D+01  0.823325D+01  0.547041D+01
               221           222           223           224           225 
      1  -0.111704D+02 -0.697005D+01 -0.208871D+01 -0.110377D+02 -0.176818D+02
      2   0.870897D+01  0.258028D+01 -0.223336D+01 -0.977392D+00 -0.586283D+01
      3   0.246139D+01  0.438977D+01  0.432207D+01  0.120151D+02  0.235446D+02
      4   0.106138D+02  0.784198D+01  0.904050D+01  0.108743D+02  0.144267D+02
      5   0.803268D+01  0.720230D+01  0.121023D+02  0.133833D+02  0.211859D+02
      6   0.124054D+02  0.140299D+02  0.912175D+01  0.212266D+02  0.257278D+02
               226           227           228           229           230 
      1   0.182573D+02 -0.940572D+01 -0.382629D+01 -0.685105D+01 -0.368653D+01
      2  -0.394121D+01 -0.110695D+00  0.156613D+01 -0.241762D+01  0.140186D+02
      3  -0.143161D+02  0.951642D+01  0.226016D+01  0.926867D+01 -0.103321D+02
      4  -0.285773D+02  0.235688D+02  0.106333D+02  0.202347D+02 -0.279801D+02
      5  -0.106624D+02  0.849708D+01  0.915481D+01  0.574947D+01 -0.815734D+01
      6   0.640685D+01 -0.692346D+01 -0.556742D+01 -0.546444D+01  0.963615D+01
               231           232           233           234 
      1  -0.142826D+01 -0.418902D+01  0.886314D+00  0.246514D+01
      2   0.308858D+01  0.161994D+01  0.423151D+01 -0.119043D+01
      3  -0.166032D+01  0.256908D+01 -0.511782D+01 -0.127472D+01
      4  -0.998006D+01  0.121065D+02 -0.151302D+02 -0.724741D+01
      5  -0.581206D+01  0.966873D+01 -0.481160D+01 -0.704739D+01
      6   0.668414D+01 -0.663620D+01  0.452350D+01  0.583560D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654633D-01      0.166391D+00      0.555021D+00
   x         -0.699461D-02     -0.177785D-01     -0.593028D-01
   y         -0.419830D-01     -0.106710D+00     -0.355946D+00
   z         -0.497388D-01     -0.126423D+00     -0.421703D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.113035D+03      0.167501D+02      0.186370D+02
   aniso      0.270611D+02      0.401004D+01      0.446177D+01
   xx         0.126503D+03      0.187458D+02      0.208575D+02
   yx         0.399572D+01      0.592105D+00      0.658806D+00
   yy         0.115585D+03      0.171279D+02      0.190573D+02
   zx         0.411182D+00      0.609309D-01      0.677948D-01
   zy         0.240015D+01      0.355665D+00      0.395731D+00
   zz         0.970185D+02      0.143767D+02      0.159962D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.117584D+03      0.174241D+02      0.193869D+02
   aniso      0.284412D+02      0.421455D+01      0.468932D+01
   xx         0.131577D+03      0.194977D+02      0.216942D+02
   yx         0.446147D+01      0.661121D+00      0.735597D+00
   yy         0.120411D+03      0.178430D+02      0.198530D+02
   zx         0.494558D+00      0.732859D-01      0.815416D-01
   zy         0.247262D+01      0.366404D+00      0.407680D+00
   zz         0.100763D+03      0.149316D+02      0.166136D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.31315505         -0.31232063          1.90814427
     6          1.73813513         -2.03782781         -0.32973281
     6         -1.29348854          0.74004624          2.43145085
     6         -3.34170886         -0.01149217          0.60709473
     6         -5.89851730          1.08759508          1.15178788
     6         -2.93363759         -1.53756170         -1.34908162
     6         -0.45133936         -2.71447183         -2.04143417
     6          2.90039686          0.56825294         -0.29316582
     1          2.37312040         -0.76524544          3.60092051
     1          3.06458635         -3.57030424         -0.03720554
     1         -6.55362383          0.54572222          3.03762671
     1         -7.30253621          0.46650271         -0.22153506
     1         -5.83422198          3.15535156          1.12166285
     1         -0.00080883         -2.23689974         -4.00927637
     1         -0.68378311         -4.77166244         -2.03207899
     6          1.92455636          2.60281079         -2.04516912
     6          5.72415786          0.70729211          0.13526372
     1         -0.10622065          2.48853279         -2.34551613
     1          2.84513744          2.46711847         -3.89005981
     1          2.34989851          4.47554951         -1.28240874
     1          6.36686272         -0.78445880          1.40640859
     1          6.25779087          2.52185645          0.96909756
     1          6.75387928          0.50729030         -1.64580135
     1         -1.22816627          2.81190359          2.53479266
     1         -1.88224873          0.13433318          4.32236119
     1         -4.50992229         -1.99951334         -2.57993565

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654633D-01      0.166391D+00      0.555021D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.654633D-01      0.166391D+00      0.555021D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.113035D+03      0.167501D+02      0.186370D+02
   aniso      0.270611D+02      0.401004D+01      0.446177D+01
   xx         0.125773D+03      0.186377D+02      0.207372D+02
   yx        -0.956602D+00     -0.141754D+00     -0.157722D+00
   yy         0.105388D+03      0.156169D+02      0.173762D+02
   zx        -0.526577D+01     -0.780307D+00     -0.868208D+00
   zy         0.959865D+01      0.142237D+01      0.158260D+01
   zz         0.107945D+03      0.159957D+02      0.177977D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.117584D+03      0.174241D+02      0.193869D+02
   aniso      0.284412D+02      0.421455D+01      0.468932D+01
   xx         0.130779D+03      0.193794D+02      0.215625D+02
   yx        -0.117127D+01     -0.173565D+00     -0.193117D+00
   yy         0.109675D+03      0.162521D+02      0.180829D+02
   zx        -0.572963D+01     -0.849043D+00     -0.944688D+00
   zy         0.101552D+02      0.150485D+01      0.167437D+01
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 I DO NOT DEFINE TIME, SPACE, PLACE, AND MOTION, AS BEING WELL KNOWN TO ALL.
                                            -- NEWTON (1642-1726), PRINCIPIA
 Job cpu time:       0 days  4 hours 47 minutes 24.6 seconds.
 Elapsed time:       0 days  0 hours 36 minutes  9.6 seconds.
 File lengths (MBytes):  RWF=    292 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 13:46:15 2021.
